data_SD/Cu23a
_audit_creation_date               2020-02-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number             2013-4
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety           '1(C90 H117 Cu23 F18 O12)'
_chemical_formula_sum              'C90 H117 Cu23 F18 O12'
_chemical_formula_weight           3194.28
_chemical_absolute_configuration   unk
_chemical_melting_point            ?
_chemical_oxdiff_formula           CuC
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cu' 'Cu' -1.9646 0.5888
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'trigonal'
_space_group_IT_number             161
_space_group_name_H-M_alt          'R 3 c'
_space_group_name_Hall             'R 3 -2"c'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 '-x+y, y, z+1/2'
 'x, x-y, z+1/2'
 '-y, -x, z+1/2'
 'x+2/3, y+1/3, z+1/3'
 '-y+2/3, x-y+1/3, z+1/3'
 '-x+y+2/3, -x+1/3, z+1/3'
 '-x+y+2/3, y+1/3, z+5/6'
 'x+2/3, x-y+1/3, z+5/6'
 '-y+2/3, -x+1/3, z+5/6'
 'x+1/3, y+2/3, z+2/3'
 '-y+1/3, x-y+2/3, z+2/3'
 '-x+y+1/3, -x+2/3, z+2/3'
 '-x+y+1/3, y+2/3, z+7/6'
 'x+1/3, x-y+2/3, z+7/6'
 '-y+1/3, -x+2/3, z+7/6'

_cell_length_a                     25.5926(7)
_cell_length_b                     25.5926(7)
_cell_length_c                     29.0898(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       16500.7(11)
_cell_formula_units_Z              5.99994
_cell_measurement_reflns_used      10752
_cell_measurement_temperature      96(9)
_cell_measurement_theta_max        74.9710
_cell_measurement_theta_min        3.4150
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      5.330
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.63228
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.30d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour              'clear light yellow'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.929
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               9492
_exptl_crystal_size_max            0.02
_exptl_crystal_size_mid            0.015
_exptl_crystal_size_min            0.01
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0388
_diffrn_reflns_av_unetI/netI       0.0236
_diffrn_reflns_Laue_measured_fraction_full  0.984
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         28
_diffrn_reflns_limit_h_min         -30
_diffrn_reflns_limit_k_max         30
_diffrn_reflns_limit_k_min         -30
_diffrn_reflns_limit_l_max         13
_diffrn_reflns_limit_l_min         -34
_diffrn_reflns_number              24687
_diffrn_reflns_point_group_measured_fraction_full  0.984
_diffrn_reflns_point_group_measured_fraction_max  0.999
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           67.070
_diffrn_reflns_theta_min           3.454
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        96(9)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   ?
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.984
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -60.00  17.00   1.00   10.00    --  -48.45  37.00-180.00   77
  2  ω   -116.00 -35.00   1.00   10.00    --  -48.45 -15.00 -17.00   81
  3  ω    -83.00 -25.00   1.00   30.00    --  -86.25 115.00-102.00   58
  4  ω    -56.00 -14.00   1.00   30.00    --  -86.25  45.00  60.00   42
  5  ω    -99.00 -69.00   1.00   30.00    --  -86.25  45.00  60.00   30
  6  ω     39.00 114.00   1.00   30.00    --  106.49 -45.00-180.00   75
  7  ω     79.00 111.00   1.00   30.00    --  106.49-120.00 -98.00   32
  8  ω     33.00 118.00   1.00   30.00    --  106.49 -15.00 -17.00   85
  9  ω     35.00  75.00   1.00   30.00    --  106.49-120.00 -98.00   40
 10  ω     34.00 101.00   1.00   30.00    --  106.49 -94.00-180.00   67
 11  ω     33.00 119.00   1.00   30.00    --  106.49 -15.00-120.00   86
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_measurement_specimen_support  'Mitegen 50um'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0575374000
_diffrn_orient_matrix_UB_12        -0.0622883000
_diffrn_orient_matrix_UB_13        0.0038146000
_diffrn_orient_matrix_UB_21        -0.0372290000
_diffrn_orient_matrix_UB_22        0.0309364000
_diffrn_orient_matrix_UB_23        0.0100582000
_diffrn_orient_matrix_UB_31        -0.0114995000
_diffrn_orient_matrix_UB_32        0.0012971000
_diffrn_orient_matrix_UB_33        -0.0518237000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage           0.995
_reflns_Friedel_fraction_full      0.984
_reflns_Friedel_fraction_max       0.999
_reflns_number_gt                  4703
_reflns_number_total               4937
_reflns_odcompleteness_completeness  99.91
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       66.97
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_collection         'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_data_reduction          'CrysAlisPro 1.171.39.30d (Rigaku OD, 2017)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max           3.168
_refine_diff_density_min           -1.011
_refine_diff_density_rms           0.192
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack     0.45(12)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.238
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       561
_refine_ls_number_reflns           4937
_refine_ls_number_restraints       285
_refine_ls_R_factor_all            0.0931
_refine_ls_R_factor_gt             0.0912
_refine_ls_restrained_S_all        1.270
_refine_ls_shift/su_max            0.025
_refine_ls_shift/su_mean           0.004
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2415
_refine_ls_wR_factor_ref           0.2492
_refine_special_details
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.55(12)
 0.45(12)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C25-C14
 2.35 with sigma of 0.01
 C25-C18
 2.35 with sigma of 0.01
 C18-C14
 2.35 with sigma of 0.01
 C15-C5 = C15-C14 = C15-C18 = C15-C25
 1.55 with sigma of 0.01
 O4A-C31 = O3-C31 = O3A-C31 = O4-C31
 1.25 with sigma of 0.01
 C13-C20
 1.55 with sigma of 0.01
 C5-C16
 1.25 with sigma of 0.01
 C21-C22 = C21-C26 = C21-C29 = C21-C30
 1.55 with sigma of 0.01
 C13-C24
 1.55 with sigma of 0.01
 C21-C22
 1.4 with sigma of 0.01
 C31-C32
 1.4 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
C5 \\sim C10 \\sim C11 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim
C18 \\sim C20 \\sim C24 \\sim C25: within 2A with sigma of 0.004 and sigma for
terminal atoms of 0.008
C31 \\sim O3 \\sim O3A \\sim O4 \\sim O4A: within 2A with sigma of 0.004 and
sigma for terminal atoms of 0.008
C31 \\sim C32 \\sim F4 \\sim F4A \\sim F5 \\sim F5A \\sim F6: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008
C21 \\sim C22 \\sim C23 \\sim C26 \\sim C26A \\sim C29 \\sim C29A \\sim C30
\\sim C30A: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008
C23 \\sim C23A: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008
5. Others
 Fixed Sof: C23(0.55) C23A(0.45) C26(0.6) H26A(0.6) H26B(0.6) H26C(0.6)
 C26A(0.4) H26D(0.4) H26E(0.4) H26F(0.4) C29(0.6) H29A(0.6) H29B(0.6) H29C(0.6)
 C29A(0.4) H29D(0.4) H29E(0.4) H29F(0.4) C30(0.6) H30A(0.6) H30B(0.6) H30C(0.6)
 C30A(0.4) H30D(0.4) H30E(0.4) H30F(0.4) Cu6(0.55) Cu6A(0.45) Cu7(0.5)
 Cu7A(0.5) Cu8(0.5) Cu8A(0.5) Cu9(0.5) Cu9A(0.5) F4(0.5) F4A(0.5) F5(0.5)
 F5A(0.5) O1(0.6) O1A(0.4) O3(0.5) O3A(0.5) O4(0.5) O4A(0.5)
6.a Riding coordinates:
 C26(H26A,H26B,H26C), C29(H29A,H29B,H29C)
6.b Me refined with riding coordinates:
 C29A(H29D,H29E,H29F)
6.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C9(H9A,H9B,H9C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C),
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26A(H26D,H26E,H26F),
 C30(H30A,H30B,H30C), C30A(H30D,H30E,H30F)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       ?
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 C1 C 0.4492(5) 0.6255(6) 0.4681(7) 0.058(4) Uani 1 1 d . . . . .
 C2 C 0.4739(6) 0.6195(6) 0.4326(5) 0.050(3) Uani 1 1 d . . . . .
 C3 C 0.5090(6) 0.6118(7) 0.3958(6) 0.057(3) Uani 1 1 d . . . . .
 C4 C 0.5579(9) 0.6008(10) 0.4178(9) 0.084(5) Uani 1 1 d . . . . .
 H4A H 0.5836 0.6344 0.4371 0.126 Uiso 1 1 calc GR . . . .
 H4B H 0.5815 0.5967 0.3940 0.126 Uiso 1 1 calc GR . . . .
 H4C H 0.5388 0.5647 0.4359 0.126 Uiso 1 1 calc GR . . . .
 C5 C 0.3775(7) 0.5189(7) 0.5630(7) 0.071(3) Uani 1 1 d D U . . .
 C6 C 0.3333 0.6667 0.3784(8) 0.042(4) Uani 1 3 d S T P . .
 C7 C 0.3333 0.6667 0.4223(8) 0.045(5) Uani 1 3 d S T P A .
 C8 C 0.3333 0.6667 0.3295(11) 0.068(7) Uani 1 3 d S T P . .
 C9 C 0.3953(8) 0.6819(11) 0.3110(7) 0.076(5) Uani 1 1 d . . . . .
 H9A H 0.4256 0.7196 0.3237 0.114 Uiso 1 1 calc GR . . . .
 H9B H 0.3955 0.6849 0.2781 0.114 Uiso 1 1 calc GR . . . .
 H9C H 0.4038 0.6506 0.3197 0.114 Uiso 1 1 calc GR . . . .
 C10 C 0.5289(8) 0.7154(8) 0.5689(10) 0.081(3) Uani 1 1 d . U . . .
 C11 C 0.4763(7) 0.7029(8) 0.5779(10) 0.082(4) Uani 1 1 d . U . . .
 C12 C 0.5422(10) 0.6692(10) 0.3667(7) 0.086(7) Uani 1 1 d . . . . .
 H12A H 0.5134 0.6747 0.3494 0.128 Uiso 1 1 calc GR . . . .
 H12B H 0.5693 0.6654 0.3460 0.128 Uiso 1 1 calc GR . . . .
 H12C H 0.5646 0.7033 0.3864 0.128 Uiso 1 1 calc GR . . . .
 C13 C 0.5897(7) 0.7276(8) 0.5595(7) 0.088(3) Uani 1 1 d D U . . .
 C14 C 0.4380(8) 0.4839(9) 0.5215(7) 0.093(5) Uani 1 1 d D U . . .
 H14A H 0.4261 0.4910 0.4919 0.140 Uiso 1 1 calc GR . . . .
 H14B H 0.4464 0.4514 0.5193 0.140 Uiso 1 1 calc GR . . . .
 H14C H 0.4735 0.5197 0.5316 0.140 Uiso 1 1 calc GR . . . .
 C15 C 0.3882(6) 0.4677(6) 0.5550(6) 0.078(3) Uani 1 1 d D U . . .
 C16 C 0.3699(8) 0.5587(7) 0.5793(8) 0.073(3) Uani 1 1 d D U . . .
 C17 C 0.5894(9) 0.6714(10) 0.5476(10) 0.099(5) Uani 1 1 d . U . . .
 H17A H 0.5705 0.6425 0.5719 0.148 Uiso 1 1 calc GR . . . .
 H17B H 0.6301 0.6798 0.5437 0.148 Uiso 1 1 calc GR . . . .
 H17C H 0.5673 0.6552 0.5196 0.148 Uiso 1 1 calc GR . . . .
 C18 C 0.3362(8) 0.4089(8) 0.5406(9) 0.109(5) Uani 1 1 d D U . . .
 H18A H 0.3184 0.3839 0.5671 0.163 Uiso 1 1 calc GR . . . .
 H18B H 0.3499 0.3891 0.5198 0.163 Uiso 1 1 calc GR . . . .
 H18C H 0.3067 0.4156 0.5255 0.163 Uiso 1 1 calc GR . . . .
 C19 C 0.4639(11) 0.5564(10) 0.3691(9) 0.089(6) Uani 1 1 d . . . . .
 H19A H 0.4383 0.5252 0.3902 0.134 Uiso 1 1 calc GR . . . .
 H19B H 0.4851 0.5424 0.3502 0.134 Uiso 1 1 calc GR . . . .
 H19C H 0.4397 0.5667 0.3501 0.134 Uiso 1 1 calc GR . . . .
 C20 C 0.6092(11) 0.7622(11) 0.5133(9) 0.111(6) Uani 1 1 d D U . . .
 H20A H 0.6133 0.7375 0.4905 0.167 Uiso 1 1 calc GR . . . .
 H20B H 0.6471 0.7988 0.5173 0.167 Uiso 1 1 calc GR . . . .
 H20C H 0.5792 0.7719 0.5036 0.167 Uiso 1 1 calc GR . . . .
 C21 C 0.1474(5) 0.5247(6) 0.7134(6) 0.061(2) Uani 1 1 d D U . . .
 C22 C 0.2073(5) 0.5690(5) 0.6951(5) 0.048(2) Uani 1 1 d D U . . .
 C23 C 0.2609(9) 0.5883(9) 0.6829(9) 0.040(3) Uani 0.55 1 d . U . A 1
 C23A C 0.2441(11) 0.6188(11) 0.6863(11) 0.043(4) Uani 0.45 1 d . U . A 2
 C24 C 0.6303(10) 0.7578(12) 0.6015(9) 0.112(5) Uani 1 1 d D U . . .
 H24A H 0.6604 0.7984 0.5938 0.168 Uiso 1 1 calc GR . . . .
 H24B H 0.6496 0.7355 0.6104 0.168 Uiso 1 1 calc GR . . . .
 H24C H 0.6062 0.7585 0.6266 0.168 Uiso 1 1 calc GR . . . .
 C25 C 0.4113(11) 0.4509(10) 0.5982(6) 0.103(5) Uani 1 1 d D U . . .
 H25A H 0.4546 0.4729 0.5983 0.154 Uiso 1 1 calc GR . . . .
 H25B H 0.3972 0.4084 0.5980 0.154 Uiso 1 1 calc GR . . . .
 H25C H 0.3965 0.4610 0.6251 0.154 Uiso 1 1 calc GR . . . .
 C26 C 0.1463(12) 0.4642(9) 0.7190(12) 0.070(4) Uani 0.6 1 d D U . B 2
 H26A H 0.1799 0.4704 0.7377 0.106 Uiso 0.6 1 d R . . B 2
 H26B H 0.1497 0.4500 0.6892 0.106 Uiso 0.6 1 d R . . B 2
 H26C H 0.1094 0.4348 0.7333 0.106 Uiso 0.6 1 d R . . B 2
 C26A C 0.1065(18) 0.5475(19) 0.7186(19) 0.070(5) Uani 0.4 1 d . U . B 1
 H26D H 0.1130 0.5754 0.6941 0.105 Uiso 0.4 1 calc GR . . B 1
 H26E H 0.1135 0.5678 0.7476 0.105 Uiso 0.4 1 calc GR . . B 1
 H26F H 0.0657 0.5146 0.7174 0.105 Uiso 0.4 1 calc GR . . B 1
 C27 C 0.2843(6) 0.4556(6) 0.6971(5) 0.050(3) Uani 1 1 d . . . . .
 C28 C 0.2750(7) 0.4019(7) 0.7269(7) 0.067(4) Uani 1 1 d . . . . .
 C29 C 0.1345(12) 0.5468(13) 0.7588(8) 0.071(4) Uani 0.6 1 d D U . B 2
 H29A H 0.1087 0.5635 0.7535 0.106 Uiso 0.6 1 d R . . B 2
 H29B H 0.1726 0.5777 0.7706 0.106 Uiso 0.6 1 d R . . B 2
 H29C H 0.1159 0.5145 0.7806 0.106 Uiso 0.6 1 d R . . B 2
 C29A C 0.1288(18) 0.4665(19) 0.6869(18) 0.072(5) Uani 0.4 1 d . U . B 1
 H29D H 0.0878 0.4373 0.6943 0.108 Uiso 0.4 1 calc R . . B 1
 H29E H 0.1548 0.4510 0.6953 0.108 Uiso 0.4 1 calc R . . B 1
 H29F H 0.1322 0.4746 0.6545 0.108 Uiso 0.4 1 calc R . . B 1
 C30 C 0.0969(9) 0.5173(13) 0.6804(10) 0.070(4) Uani 0.6 1 d D U . B 2
 H30A H 0.0621 0.4780 0.6845 0.105 Uiso 0.6 1 calc GR . . B 2
 H30B H 0.1108 0.5217 0.6493 0.105 Uiso 0.6 1 calc GR . . B 2
 H30C H 0.0863 0.5476 0.6871 0.105 Uiso 0.6 1 calc GR . . B 2
 C30A C 0.1580(18) 0.5039(19) 0.7639(18) 0.070(5) Uani 0.4 1 d . U . B 1
 H30D H 0.1473 0.5234 0.7873 0.105 Uiso 0.4 1 calc GR . . B 1
 H30E H 0.1996 0.5151 0.7673 0.105 Uiso 0.4 1 calc GR . . B 1
 H30F H 0.1332 0.4609 0.7669 0.105 Uiso 0.4 1 calc GR . . B 1
 C31 C 0.5187(6) 0.8084(7) 0.4215(6) 0.077(3) Uani 1 1 d D U . . .
 C32 C 0.5715(8) 0.8469(10) 0.3950(9) 0.091(3) Uani 1 1 d D U . . .
 Cu1 Cu 0.28734(16) 0.50743(10) 0.61017(10) 0.0735(8) Uani 1 1 d . . . . .
 Cu2 Cu 0.31268(12) 0.59860(9) 0.56120(8) 0.0580(6) Uani 1 1 d . . . . .
 Cu3 Cu 0.40859(9) 0.63513(10) 0.61383(7) 0.0513(5) Uani 1 1 d . . . . .
 Cu4 Cu 0.3333 0.6667 0.48960(12) 0.0412(7) Uani 1 3 d S T P A .
 Cu5 Cu 0.3333 0.6667 0.65114(11) 0.0340(6) Uani 1 3 d S T P A .
 Cu6 Cu 0.33624(13) 0.58347(13) 0.68980(13) 0.0412(8) Uani 0.55 1 d . . . A 1
 Cu6A Cu 0.28826(19) 0.56912(18) 0.69144(16) 0.0430(9) Uani 0.45 1 d . . . A 2
 Cu7 Cu 0.4007(2) 0.60262(17) 0.52275(17) 0.0558(11) Uani 0.5 1 d . . . A .
 Cu7A Cu 0.4211(2) 0.6862(2) 0.4366(2) 0.0648(12) Uani 0.5 1 d . . . . .
 Cu8 Cu 0.36625(18) 0.60846(17) 0.43596(16) 0.0492(9) Uani 0.5 1 d . . . A .
 Cu8A Cu 0.44895(19) 0.6705(2) 0.52173(18) 0.0615(11) Uani 0.5 1 d . . . A .
 Cu9 Cu 0.45333(15) 0.70442(15) 0.48246(16) 0.0487(9) Uani 0.5 1 d . . . A .
 Cu9A Cu 0.3634(2) 0.5745(2) 0.4913(2) 0.0675(13) Uani 0.5 1 d . . . A .
 F1 F 0.3226(6) 0.4128(6) 0.7470(6) 0.106(5) Uani 1 1 d . . . . .
 F2 F 0.2313(7) 0.3882(8) 0.7570(7) 0.126(7) Uani 1 1 d . . . . .
 F3 F 0.2590(11) 0.3522(6) 0.7012(7) 0.132(6) Uani 1 1 d . . . . .
 F4 F 0.6212(12) 0.8702(13) 0.4228(12) 0.093(4) Uani 0.5 1 d . U . . .
 F4A F 0.6224(13) 0.8507(14) 0.4094(12) 0.097(4) Uani 0.5 1 d . U . . .
 F5 F 0.5721(12) 0.8898(13) 0.3704(11) 0.095(4) Uani 0.5 1 d . U . . .
 F5A F 0.5783(12) 0.9067(12) 0.3941(11) 0.093(3) Uani 0.5 1 d . U . . .
 F6 F 0.5823(6) 0.8283(7) 0.3550(6) 0.107(3) Uani 1 1 d . U . . .
 O1 O 0.3137(10) 0.5058(8) 0.7164(7) 0.055(4) Uani 0.6 1 d . . . A 1
 O1A O 0.2764(15) 0.4946(11) 0.7197(8) 0.049(5) Uani 0.4 1 d . . . A 2
 O2 O 0.2749(6) 0.4448(5) 0.6559(5) 0.070(3) Uani 1 1 d . . . . .
 O3 O 0.5230(10) 0.7727(11) 0.4492(9) 0.070(3) Uani 0.5 1 d D U . A 2
 O3A O 0.4894(9) 0.7584(8) 0.4040(10) 0.076(3) Uani 0.5 1 d D U . A 1
 O4 O 0.4709(8) 0.7971(11) 0.4010(9) 0.074(3) Uani 0.5 1 d D U . A 2
 O4A O 0.5057(10) 0.8296(10) 0.4563(8) 0.075(3) Uani 0.5 1 d D U . A 1


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 C1 C2 1.26(2) . ?
 C1 Cu7 1.918(19) . ?
 C1 Cu7A 2.213(15) . ?
 C1 Cu8 2.156(13) . ?
 C1 Cu8A 1.941(19) . ?
 C1 Cu9 2.013(15) . ?
 C1 Cu9A 2.029(14) . ?
 C2 C3 1.47(2) . ?
 C3 C4 1.55(3) . ?
 C3 C12 1.53(2) . ?
 C3 C19 1.52(2) . ?
 C5 C15 1.485(10) . ?
 C5 C16 1.223(12) . ?
 C5 Cu7 2.245(17) . ?
 C6 C7 1.28(3) . ?
 C6 C8 1.42(4) . ?
 C7 Cu4 1.96(2) . ?
 C7 Cu7A 2.084(7) 3_565 ?
 C7 Cu7A 2.084(7) . ?
 C7 Cu7A 2.084(7) 2_665 ?
 C7 Cu8 2.084(6) 3_565 ?
 C7 Cu8 2.084(6) 2_665 ?
 C7 Cu8 2.084(6) . ?
 C8 C9 1.53(2) 2_665 ?
 C8 C9 1.53(2) 3_565 ?
 C8 C9 1.53(2) . ?
 C10 C11 1.25(3) . ?
 C10 C13 1.45(2) . ?
 C10 Cu8A 2.25(2) . ?
 C11 Cu1 2.03(2) 2_665 ?
 C11 Cu2 2.131(15) 2_665 ?
 C11 Cu3 2.03(2) . ?
 C11 Cu8A 1.81(3) . ?
 C13 C17 1.48(3) . ?
 C13 C20 1.547(13) . ?
 C13 C24 1.538(13) . ?
 C14 C15 1.490(12) . ?
 C15 C18 1.486(12) . ?
 C15 C25 1.537(12) . ?
 C16 Cu1 2.05(2) . ?
 C16 Cu2 2.227(15) . ?
 C16 Cu3 1.970(16) . ?
 C16 Cu7 1.92(2) . ?
 C21 C22 1.477(8) . ?
 C21 C26 1.544(13) . ?
 C21 C26A 1.44(5) . ?
 C21 C29 1.537(13) . ?
 C21 C29A 1.53(5) . ?
 C21 C30 1.544(13) . ?
 C21 C30A 1.63(6) . ?
 C22 C23 1.25(2) . ?
 C22 C23A 1.17(3) . ?
 C22 Cu3 2.424(15) 3_565 ?
 C22 Cu6 2.115(12) 3_565 ?
 C22 Cu6A 2.072(12) . ?
 C23 Cu3 2.21(3) 3_565 ?
 C23 Cu5 2.14(2) . ?
 C23 Cu6 2.00(2) . ?
 C23 Cu6 2.14(2) 3_565 ?
 C23A Cu3 2.20(3) 3_565 ?
 C23A Cu5 2.23(3) . ?
 C23A Cu6A 2.09(3) . ?
 C23A Cu6A 2.08(3) 3_565 ?
 C27 C28 1.539(18) . ?
 C27 O1 1.25(2) . ?
 C27 O1A 1.29(3) . ?
 C27 O2 1.23(2) . ?
 C28 F1 1.25(2) . ?
 C28 F2 1.32(2) . ?
 C28 F3 1.35(2) . ?
 C31 C32 1.434(12) . ?
 C31 O3 1.265(12) . ?
 C31 O3A 1.225(13) . ?
 C31 O4 1.257(13) . ?
 C31 O4A 1.267(13) . ?
 C32 F4 1.37(4) . ?
 C32 F4A 1.33(4) . ?
 C32 F5 1.30(4) . ?
 C32 F5A 1.45(4) . ?
 C32 F6 1.34(3) . ?
 Cu1 C11 2.03(2) 3_565 ?
 Cu1 Cu2 2.526(3) . ?
 Cu1 Cu6 2.878(5) . ?
 Cu1 Cu6A 2.836(5) . ?
 Cu1 O2 1.982(12) . ?
 Cu2 C11 2.131(15) 3_565 ?
 Cu2 Cu2 2.679(3) 2_665 ?
 Cu2 Cu2 2.679(3) 3_565 ?
 Cu2 Cu3 2.614(3) 3_565 ?
 Cu2 Cu3 2.636(3) . ?
 Cu2 Cu4 2.595(3) . ?
 Cu2 Cu7 2.472(4) . ?
 Cu2 Cu8A 2.323(5) 3_565 ?
 Cu2 Cu9 2.721(5) 3_565 ?
 Cu2 Cu9A 2.647(6) . ?
 Cu3 C22 2.424(15) 2_665 ?
 Cu3 C23 2.21(3) 2_665 ?
 Cu3 C23A 2.20(3) 2_665 ?
 Cu3 Cu2 2.614(3) 2_665 ?
 Cu3 Cu5 2.663(2) . ?
 Cu3 Cu6 2.759(4) . ?
 Cu3 Cu6A 2.970(5) 2_665 ?
 Cu3 Cu7 2.754(5) . ?
 Cu3 Cu8A 2.851(6) . ?
 Cu4 Cu2 2.595(3) 2_665 ?
 Cu4 Cu2 2.595(3) 3_565 ?
 Cu4 Cu7A 2.560(6) 2_665 ?
 Cu4 Cu7A 2.560(6) 3_565 ?
 Cu4 Cu7A 2.560(6) . ?
 Cu4 Cu8 2.573(4) . ?
 Cu4 Cu8 2.573(4) 3_565 ?
 Cu4 Cu8 2.573(4) 2_665 ?
 Cu4 Cu9 2.728(3) . ?
 Cu4 Cu9 2.728(3) 2_665 ?
 Cu5 C23 2.14(2) 3_565 ?
 Cu5 C23 2.14(2) 2_665 ?
 Cu5 C23A 2.23(3) 2_665 ?
 Cu5 C23A 2.23(3) 3_565 ?
 Cu5 Cu6 2.442(3) 3_565 ?
 Cu5 Cu6 2.442(3) 2_665 ?
 Cu5 Cu6 2.442(3) . ?
 Cu5 Cu6A 2.461(4) . ?
 Cu5 Cu6A 2.461(4) 3_565 ?
 Cu5 Cu6A 2.461(4) 2_665 ?
 Cu6 C22 2.115(13) 2_665 ?
 Cu6 C23 2.14(2) 2_665 ?
 Cu6 O1 1.934(16) . ?
 Cu6A C23A 2.08(3) 2_665 ?
 Cu6A Cu3 2.970(5) 3_565 ?
 Cu6A O1A 1.96(2) . ?
 Cu7 Cu2 3.056(5) 2_665 ?
 Cu7 Cu8 2.703(7) . ?
 Cu7 Cu8A 1.549(6) . ?
 Cu7 Cu9 2.543(5) . ?
 Cu7 Cu9A 1.259(8) . ?
 Cu7A Cu8 2.305(6) 2_665 ?
 Cu7A Cu8 1.771(6) . ?
 Cu7A Cu8A 2.663(8) . ?
 Cu7A Cu9 1.515(8) . ?
 Cu7A Cu9A 3.025(8) 2_665 ?
 Cu7A Cu9A 2.944(8) . ?
 Cu7A O3A 2.03(2) . ?
 Cu8 Cu7A 2.305(6) 3_565 ?
 Cu8 Cu9 2.891(6) 3_565 ?
 Cu8 Cu9 2.712(6) . ?
 Cu8 Cu9A 1.813(8) . ?
 Cu8 O4 2.03(2) 3_565 ?
 Cu8A Cu2 2.323(5) 2_665 ?
 Cu8A Cu9 1.404(7) . ?
 Cu8A Cu9A 2.499(6) . ?
 Cu9 Cu2 2.721(5) 2_665 ?
 Cu9 Cu8 2.891(6) 2_665 ?
 Cu9 Cu9A 2.604(6) 2_665 ?
 Cu9 Cu9A 2.962(6) . ?
 Cu9 O3 2.01(2) . ?
 Cu9A Cu7A 3.025(8) 3_565 ?
 Cu9A Cu9 2.604(6) 3_565 ?
 Cu9A O4A 2.05(2) 3_565 ?
 F4 F4A 0.64(4) . ?
 F5 F5A 0.78(4) . ?
 O4 Cu8 2.03(2) 2_665 ?
 O4A Cu9A 2.05(2) 2_665 ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C2 C1 Cu7 158.4(12) . . ?
 C2 C1 Cu7A 96.0(12) . . ?
 C2 C1 Cu8 97.0(12) . . ?
 C2 C1 Cu8A 151.8(11) . . ?
 C2 C1 Cu9 120.9(12) . . ?
 C2 C1 Cu9A 129.9(12) . . ?
 Cu7 C1 Cu7A 99.8(6) . . ?
 Cu7 C1 Cu8 82.9(5) . . ?
 Cu7 C1 Cu8A 47.3(5) . . ?
 Cu7 C1 Cu9 80.6(7) . . ?
 Cu7 C1 Cu9A 37.1(4) . . ?
 Cu8 C1 Cu7A 47.8(3) . . ?
 Cu8A C1 Cu7A 79.5(5) . . ?
 Cu8A C1 Cu8 100.0(6) . . ?
 Cu8A C1 Cu9 41.6(4) . . ?
 Cu8A C1 Cu9A 78.0(7) . . ?
 Cu9 C1 Cu7A 41.7(3) . . ?
 Cu9 C1 Cu8 81.1(5) . . ?
 Cu9 C1 Cu9A 94.2(6) . . ?
 Cu9A C1 Cu7A 87.8(5) . . ?
 Cu9A C1 Cu8 51.2(3) . . ?
 C1 C2 C3 171.5(15) . . ?
 C2 C3 C4 109.1(15) . . ?
 C2 C3 C12 110.8(13) . . ?
 C2 C3 C19 105.4(13) . . ?
 C12 C3 C4 106.9(14) . . ?
 C19 C3 C4 110.4(17) . . ?
 C19 C3 C12 114.2(17) . . ?
 C15 C5 Cu7 133.1(13) . . ?
 C16 C5 C15 166(2) . . ?
 C16 C5 Cu7 58.9(13) . . ?
 C7 C6 C8 180.000(13) . . ?
 C6 C7 Cu4 180.0 . . ?
 C6 C7 Cu7A 101.5(7) . 2_665 ?
 C6 C7 Cu7A 101.5(7) . 3_565 ?
 C6 C7 Cu7A 101.5(7) . . ?
 C6 C7 Cu8 101.0(7) . 3_565 ?
 C6 C7 Cu8 101.0(7) . . ?
 C6 C7 Cu8 101.0(7) . 2_665 ?
 Cu4 C7 Cu7A 78.5(7) . 3_565 ?
 Cu4 C7 Cu7A 78.5(7) . 2_665 ?
 Cu4 C7 Cu7A 78.5(7) . . ?
 Cu4 C7 Cu8 79.0(7) . 2_665 ?
 Cu4 C7 Cu8 79.0(7) . . ?
 Cu4 C7 Cu8 79.0(7) . 3_565 ?
 Cu7A C7 Cu7A 116.1(5) 2_665 . ?
 Cu7A C7 Cu7A 116.1(5) 3_565 . ?
 Cu7A C7 Cu7A 116.1(5) 2_665 3_565 ?
 Cu7A C7 Cu8 50.3(2) . . ?
 Cu7A C7 Cu8 155.9(13) 2_665 . ?
 Cu7A C7 Cu8 67.2(3) 3_565 . ?
 Cu8 C7 Cu7A 50.3(2) 3_565 3_565 ?
 Cu8 C7 Cu7A 155.9(13) 2_665 3_565 ?
 Cu8 C7 Cu7A 155.9(13) 3_565 . ?
 Cu8 C7 Cu7A 67.1(3) 3_565 2_665 ?
 Cu8 C7 Cu7A 50.3(2) 2_665 2_665 ?
 Cu8 C7 Cu7A 67.1(3) 2_665 . ?
 Cu8 C7 Cu8 116.4(4) 3_565 2_665 ?
 Cu8 C7 Cu8 116.4(4) 2_665 . ?
 Cu8 C7 Cu8 116.4(4) 3_565 . ?
 C6 C8 C9 110.5(14) . . ?
 C6 C8 C9 110.5(14) . 2_665 ?
 C6 C8 C9 110.5(14) . 3_565 ?
 C9 C8 C9 108.4(15) 2_665 . ?
 C9 C8 C9 108.4(15) 3_565 . ?
 C9 C8 C9 108.4(15) 2_665 3_565 ?
 C11 C10 C13 178(2) . . ?
 C11 C10 Cu8A 53.4(16) . . ?
 C13 C10 Cu8A 126.8(18) . . ?
 C10 C11 Cu1 100.2(15) . 2_665 ?
 C10 C11 Cu2 148(2) . 2_665 ?
 C10 C11 Cu3 132.9(15) . . ?
 C10 C11 Cu8A 93(2) . . ?
 Cu1 C11 Cu2 74.7(5) 2_665 2_665 ?
 Cu3 C11 Cu1 105.3(12) . 2_665 ?
 Cu3 C11 Cu2 77.9(6) . 2_665 ?
 Cu8A C11 Cu1 135.1(11) . 2_665 ?
 Cu8A C11 Cu2 71.8(7) . 2_665 ?
 Cu8A C11 Cu3 96.0(9) . . ?
 C10 C13 C17 110.5(15) . . ?
 C10 C13 C20 106.9(17) . . ?
 C10 C13 C24 109.9(18) . . ?
 C17 C13 C20 101(2) . . ?
 C17 C13 C24 110.4(18) . . ?
 C24 C13 C20 117(2) . . ?
 C5 C15 C14 111.4(14) . . ?
 C5 C15 C18 118.2(14) . . ?
 C5 C15 C25 112.6(15) . . ?
 C14 C15 C25 102.6(9) . . ?
 C18 C15 C14 107.8(10) . . ?
 C18 C15 C25 102.9(10) . . ?
 C5 C16 Cu1 100.3(14) . . ?
 C5 C16 Cu2 134.9(16) . . ?
 C5 C16 Cu3 144.4(14) . . ?
 C5 C16 Cu7 88.1(15) . . ?
 Cu1 C16 Cu2 72.2(5) . . ?
 Cu3 C16 Cu1 104.9(8) . . ?
 Cu3 C16 Cu2 77.5(4) . . ?
 Cu7 C16 Cu1 137.5(10) . . ?
 Cu7 C16 Cu2 72.7(7) . . ?
 Cu7 C16 Cu3 90.0(8) . . ?
 C22 C21 C26 107.4(13) . . ?
 C22 C21 C29 111.0(14) . . ?
 C22 C21 C29A 105.3(18) . . ?
 C22 C21 C30 110.8(14) . . ?
 C22 C21 C30A 107.3(17) . . ?
 C26 C21 C30 110.4(19) . . ?
 C26A C21 C22 114.4(19) . . ?
 C26A C21 C29A 121(3) . . ?
 C26A C21 C30A 108(3) . . ?
 C29 C21 C26 112(2) . . ?
 C29 C21 C30 104.9(19) . . ?
 C29A C21 C30A 99(3) . . ?
 C21 C22 Cu3 122.9(10) . 3_565 ?
 C21 C22 Cu6 128.8(9) . 3_565 ?
 C21 C22 Cu6A 132.3(10) . . ?
 C23 C22 C21 156.3(15) . . ?
 C23 C22 Cu3 65.1(13) . 3_565 ?
 C23 C22 Cu6 73.9(10) . 3_565 ?
 C23A C22 C21 150.8(18) . . ?
 C23A C22 Cu3 64.7(17) . 3_565 ?
 C23A C22 Cu6A 74.3(14) . . ?
 Cu6 C22 Cu3 74.5(4) 3_565 3_565 ?
 Cu6A C22 Cu3 82.3(4) . 3_565 ?
 C22 C23 Cu3 84.0(13) . 3_565 ?
 C22 C23 Cu5 138.9(15) . . ?
 C22 C23 Cu6 147.6(17) . . ?
 C22 C23 Cu6 71.8(11) . 3_565 ?
 Cu5 C23 Cu3 75.4(8) . 3_565 ?
 Cu6 C23 Cu3 78.7(7) 3_565 3_565 ?
 Cu6 C23 Cu3 120.4(12) . 3_565 ?
 Cu6 C23 Cu5 69.5(6) 3_565 . ?
 Cu6 C23 Cu5 72.1(7) . . ?
 Cu6 C23 Cu6 130.1(10) . 3_565 ?
 C22 C23A Cu3 86.4(17) . 3_565 ?
 C22 C23A Cu5 138(2) . . ?
 C22 C23A Cu6A 152(2) . 3_565 ?
 C22 C23A Cu6A 72.9(14) . . ?
 Cu3 C23A Cu5 74.0(10) 3_565 . ?
 Cu6A C23A Cu3 87.8(11) . 3_565 ?
 Cu6A C23A Cu3 109.8(13) 3_565 3_565 ?
 Cu6A C23A Cu5 69.5(8) . . ?
 Cu6A C23A Cu5 69.6(8) 3_565 . ?
 Cu6A C23A Cu6A 128.2(12) 3_565 . ?
 O1 C27 C28 114.0(15) . . ?
 O1A C27 C28 112.7(16) . . ?
 O2 C27 C28 115.2(13) . . ?
 O2 C27 O1 128.3(14) . . ?
 O2 C27 O1A 125.6(16) . . ?
 F1 C28 C27 111.5(13) . . ?
 F1 C28 F2 110.6(18) . . ?
 F1 C28 F3 105.7(16) . . ?
 F2 C28 C27 110.1(13) . . ?
 F2 C28 F3 107.3(18) . . ?
 F3 C28 C27 111.5(16) . . ?
 O3 C31 C32 116.5(17) . . ?
 O3A C31 C32 112(2) . . ?
 O3A C31 O4A 128.6(19) . . ?
 O4 C31 C32 112.2(18) . . ?
 O4 C31 O3 124(2) . . ?
 O4A C31 C32 119.5(19) . . ?
 C31 C32 F5A 108.1(18) . . ?
 F4 C32 C31 110(2) . . ?
 F4 C32 F5A 87(2) . . ?
 F4A C32 C31 116(2) . . ?
 F4A C32 F4 27.7(17) . . ?
 F4A C32 F5A 109(3) . . ?
 F4A C32 F6 86(2) . . ?
 F5 C32 C31 119(2) . . ?
 F5 C32 F4 110(2) . . ?
 F5 C32 F4A 121(2) . . ?
 F5 C32 F5A 32.6(17) . . ?
 F5 C32 F6 84(2) . . ?
 F6 C32 C31 121(2) . . ?
 F6 C32 F4 110.8(19) . . ?
 F6 C32 F5A 115(2) . . ?
 C11 Cu1 C16 108.4(8) 3_565 . ?
 C11 Cu1 Cu2 54.5(5) 3_565 . ?
 C11 Cu1 Cu6 110.7(7) 3_565 . ?
 C11 Cu1 Cu6A 93.8(7) 3_565 . ?
 C16 Cu1 Cu2 57.1(5) . . ?
 C16 Cu1 Cu6 87.7(5) . . ?
 C16 Cu1 Cu6A 106.8(5) . . ?
 Cu2 Cu1 Cu6 90.30(11) . . ?
 Cu2 Cu1 Cu6A 91.66(12) . . ?
 O2 Cu1 C11 130.3(7) . 3_565 ?
 O2 Cu1 C16 120.6(7) . . ?
 O2 Cu1 Cu2 171.3(4) . . ?
 O2 Cu1 Cu6 81.2(4) . . ?
 O2 Cu1 Cu6A 81.0(4) . . ?
 C11 Cu2 C16 98.9(7) 3_565 . ?
 C11 Cu2 Cu1 50.8(6) 3_565 . ?
 C11 Cu2 Cu2 100.1(5) 3_565 3_565 ?
 C11 Cu2 Cu2 156.5(6) 3_565 2_665 ?
 C11 Cu2 Cu3 49.3(6) 3_565 3_565 ?
 C11 Cu2 Cu3 123.2(7) 3_565 . ?
 C11 Cu2 Cu4 123.9(7) 3_565 . ?
 C11 Cu2 Cu7 130.6(5) 3_565 . ?
 C11 Cu2 Cu8A 47.6(8) 3_565 3_565 ?
 C11 Cu2 Cu9 70.5(8) 3_565 3_565 ?
 C11 Cu2 Cu9A 111.8(7) 3_565 . ?
 C16 Cu2 Cu1 50.7(5) . . ?
 C16 Cu2 Cu2 96.7(5) . 2_665 ?
 C16 Cu2 Cu2 153.4(5) . 3_565 ?
 C16 Cu2 Cu3 46.9(4) . . ?
 C16 Cu2 Cu3 123.7(6) . 3_565 ?
 C16 Cu2 Cu4 122.5(6) . . ?
 C16 Cu2 Cu7 48.0(6) . . ?
 C16 Cu2 Cu8A 126.4(5) . 3_565 ?
 C16 Cu2 Cu9 109.1(5) . 3_565 ?
 C16 Cu2 Cu9A 64.1(6) . . ?
 Cu1 Cu2 Cu2 136.58(12) . 3_565 ?
 Cu1 Cu2 Cu2 134.70(14) . 2_665 ?
 Cu1 Cu2 Cu3 76.32(12) . . ?
 Cu1 Cu2 Cu3 77.69(11) . 3_565 ?
 Cu1 Cu2 Cu4 160.89(12) . . ?
 Cu1 Cu2 Cu9 101.83(13) . 3_565 ?
 Cu1 Cu2 Cu9A 98.47(16) . . ?
 Cu2 Cu2 Cu2 59.999(1) 3_565 2_665 ?
 Cu2 Cu2 Cu9 94.75(12) 3_565 3_565 ?
 Cu2 Cu2 Cu9 120.22(9) 2_665 3_565 ?
 Cu3 Cu2 Cu2 58.90(10) . 2_665 ?
 Cu3 Cu2 Cu2 59.71(10) 3_565 3_565 ?
 Cu3 Cu2 Cu2 106.66(9) . 3_565 ?
 Cu3 Cu2 Cu2 107.30(8) 3_565 2_665 ?
 Cu3 Cu2 Cu3 106.73(12) 3_565 . ?
 Cu3 Cu2 Cu9 101.33(13) 3_565 3_565 ?
 Cu3 Cu2 Cu9 150.63(13) . 3_565 ?
 Cu3 Cu2 Cu9A 158.18(16) 3_565 . ?
 Cu3 Cu2 Cu9A 92.93(15) . . ?
 Cu4 Cu2 Cu2 58.91(5) . 3_565 ?
 Cu4 Cu2 Cu2 58.91(5) . 2_665 ?
 Cu4 Cu2 Cu3 113.51(10) . 3_565 ?
 Cu4 Cu2 Cu3 112.78(10) . . ?
 Cu4 Cu2 Cu9 61.70(10) . 3_565 ?
 Cu4 Cu2 Cu9A 65.19(15) . . ?
 Cu7 Cu2 Cu1 95.81(14) . . ?
 Cu7 Cu2 Cu2 72.66(15) . 2_665 ?
 Cu7 Cu2 Cu2 125.37(13) . 3_565 ?
 Cu7 Cu2 Cu3 65.16(14) . . ?
 Cu7 Cu2 Cu3 170.89(17) . 3_565 ?
 Cu7 Cu2 Cu4 74.54(13) . . ?
 Cu7 Cu2 Cu9 86.15(16) . 3_565 ?
 Cu7 Cu2 Cu9A 28.21(16) . . ?
 Cu8A Cu2 Cu1 93.90(15) 3_565 . ?
 Cu8A Cu2 Cu2 130.75(15) 3_565 2_665 ?
 Cu8A Cu2 Cu2 80.16(17) 3_565 3_565 ?
 Cu8A Cu2 Cu3 170.21(15) 3_565 . ?
 Cu8A Cu2 Cu3 70.27(16) 3_565 3_565 ?
 Cu8A Cu2 Cu4 76.65(14) 3_565 . ?
 Cu8A Cu2 Cu7 117.0(2) 3_565 . ?
 Cu8A Cu2 Cu9 31.08(17) 3_565 3_565 ?
 Cu8A Cu2 Cu9A 88.76(19) 3_565 . ?
 Cu9A Cu2 Cu2 90.78(15) . 2_665 ?
 Cu9A Cu2 Cu2 124.09(14) . 3_565 ?
 Cu9A Cu2 Cu9 58.03(15) . 3_565 ?
 C11 Cu3 C22 112.8(8) . 2_665 ?
 C11 Cu3 C23 105.5(9) . 2_665 ?
 C11 Cu3 C23A 133.0(11) . 2_665 ?
 C11 Cu3 Cu2 104.5(7) . . ?
 C11 Cu3 Cu2 52.9(5) . 2_665 ?
 C11 Cu3 Cu5 113.0(5) . . ?
 C11 Cu3 Cu6 155.0(8) . . ?
 C11 Cu3 Cu6A 90.0(7) . 2_665 ?
 C11 Cu3 Cu7 70.3(8) . . ?
 C11 Cu3 Cu8A 39.0(8) . . ?
 C16 Cu3 C11 112.1(10) . . ?
 C16 Cu3 C22 121.6(7) . 2_665 ?
 C16 Cu3 C23 141.8(9) . 2_665 ?
 C16 Cu3 C23A 113.7(10) . 2_665 ?
 C16 Cu3 Cu2 55.6(5) . . ?
 C16 Cu3 Cu2 105.9(6) . 2_665 ?
 C16 Cu3 Cu5 115.3(5) . . ?
 C16 Cu3 Cu6 92.8(7) . . ?
 C16 Cu3 Cu6A 157.8(7) . 2_665 ?
 C16 Cu3 Cu7 44.3(7) . . ?
 C16 Cu3 Cu8A 76.0(7) . . ?
 C22 Cu3 Cu2 130.7(3) 2_665 2_665 ?
 C22 Cu3 Cu2 137.8(3) 2_665 . ?
 C22 Cu3 Cu5 77.7(3) 2_665 . ?
 C22 Cu3 Cu6 47.6(3) 2_665 . ?
 C22 Cu3 Cu6A 43.7(3) 2_665 2_665 ?
 C22 Cu3 Cu7 158.2(3) 2_665 . ?
 C22 Cu3 Cu8A 149.7(3) 2_665 . ?
 C23 Cu3 C22 31.0(6) 2_665 2_665 ?
 C23 Cu3 Cu2 120.5(5) 2_665 . ?
 C23 Cu3 Cu2 101.4(6) 2_665 2_665 ?
 C23 Cu3 Cu5 51.2(5) 2_665 . ?
 C23 Cu3 Cu6 49.5(6) 2_665 . ?
 C23 Cu3 Cu7 170.7(6) 2_665 . ?
 C23 Cu3 Cu8A 141.9(6) 2_665 . ?
 C23A Cu3 C22 28.9(8) 2_665 2_665 ?
 C23A Cu3 Cu2 109.2(7) 2_665 . ?
 C23A Cu3 Cu2 120.6(7) 2_665 2_665 ?
 C23A Cu3 Cu5 53.5(7) 2_665 . ?
 C23A Cu3 Cu6A 44.6(7) 2_665 2_665 ?
 C23A Cu3 Cu7 156.6(7) 2_665 . ?
 C23A Cu3 Cu8A 169.3(7) 2_665 . ?
 Cu2 Cu3 Cu2 61.38(10) 2_665 . ?
 Cu2 Cu3 Cu5 69.99(9) . . ?
 Cu2 Cu3 Cu5 70.32(9) 2_665 . ?
 Cu2 Cu3 Cu6 123.35(11) 2_665 . ?
 Cu2 Cu3 Cu6 90.71(10) . . ?
 Cu2 Cu3 Cu6A 87.01(11) 2_665 2_665 ?
 Cu2 Cu3 Cu6A 120.40(11) . 2_665 ?
 Cu2 Cu3 Cu7 54.54(11) . . ?
 Cu2 Cu3 Cu7 69.36(11) 2_665 . ?
 Cu2 Cu3 Cu8A 50.09(12) 2_665 . ?
 Cu2 Cu3 Cu8A 72.07(12) . . ?
 Cu5 Cu3 Cu6 53.49(8) . . ?
 Cu5 Cu3 Cu6A 51.46(10) . 2_665 ?
 Cu5 Cu3 Cu7 121.94(13) . . ?
 Cu5 Cu3 Cu8A 119.25(13) . . ?
 Cu6 Cu3 Cu8A 162.67(14) . . ?
 Cu7 Cu3 Cu6 134.08(14) . . ?
 Cu7 Cu3 Cu6A 155.33(14) . 2_665 ?
 Cu7 Cu3 Cu8A 32.03(13) . . ?
 Cu8A Cu3 Cu6A 125.19(15) . 2_665 ?
 C7 Cu4 Cu2 143.40(7) . 2_665 ?
 C7 Cu4 Cu2 143.40(7) . 3_565 ?
 C7 Cu4 Cu2 143.40(7) . . ?
 C7 Cu4 Cu7A 52.94(14) . 2_665 ?
 C7 Cu4 Cu7A 52.93(14) . 3_565 ?
 C7 Cu4 Cu7A 52.93(14) . . ?
 C7 Cu4 Cu8 52.66(12) . 2_665 ?
 C7 Cu4 Cu8 52.66(12) . . ?
 C7 Cu4 Cu8 52.66(12) . 3_565 ?
 C7 Cu4 Cu9 85.64(12) . . ?
 C7 Cu4 Cu9 85.64(12) . 2_665 ?
 Cu2 Cu4 Cu2 62.17(11) 3_565 . ?
 Cu2 Cu4 Cu2 62.17(11) 3_565 2_665 ?
 Cu2 Cu4 Cu2 62.17(11) . 2_665 ?
 Cu2 Cu4 Cu9 123.18(14) 3_565 . ?
 Cu2 Cu4 Cu9 96.56(13) 2_665 2_665 ?
 Cu2 Cu4 Cu9 61.43(11) 3_565 2_665 ?
 Cu2 Cu4 Cu9 123.18(14) . 2_665 ?
 Cu2 Cu4 Cu9 61.43(11) 2_665 . ?
 Cu2 Cu4 Cu9 96.56(13) . . ?
 Cu7A Cu4 Cu2 118.64(13) 3_565 3_565 ?
 Cu7A Cu4 Cu2 153.91(15) 2_665 . ?
 Cu7A Cu4 Cu2 118.65(13) . . ?
 Cu7A Cu4 Cu2 118.65(13) 2_665 2_665 ?
 Cu7A Cu4 Cu2 94.25(14) 2_665 3_565 ?
 Cu7A Cu4 Cu2 94.25(14) 3_565 . ?
 Cu7A Cu4 Cu2 153.91(15) 3_565 2_665 ?
 Cu7A Cu4 Cu2 153.91(16) . 3_565 ?
 Cu7A Cu4 Cu2 94.25(14) . 2_665 ?
 Cu7A Cu4 Cu7A 87.4(2) 2_665 . ?
 Cu7A Cu4 Cu7A 87.4(2) 3_565 . ?
 Cu7A Cu4 Cu7A 87.4(2) 2_665 3_565 ?
 Cu7A Cu4 Cu8 105.2(2) . 3_565 ?
 Cu7A Cu4 Cu8 40.38(15) 3_565 3_565 ?
 Cu7A Cu4 Cu8 40.38(15) . . ?
 Cu7A Cu4 Cu8 105.2(2) 3_565 2_665 ?
 Cu7A Cu4 Cu8 53.38(15) 3_565 . ?
 Cu7A Cu4 Cu8 53.38(15) . 2_665 ?
 Cu7A Cu4 Cu8 53.38(15) 2_665 3_565 ?
 Cu7A Cu4 Cu8 40.38(15) 2_665 2_665 ?
 Cu7A Cu4 Cu8 105.2(2) 2_665 . ?
 Cu7A Cu4 Cu9 106.37(16) 3_565 2_665 ?
 Cu7A Cu4 Cu9 33.11(16) 2_665 2_665 ?
 Cu7A Cu4 Cu9 33.11(16) . . ?
 Cu7A Cu4 Cu9 114.71(16) . 2_665 ?
 Cu7A Cu4 Cu9 106.38(16) 2_665 . ?
 Cu7A Cu4 Cu9 114.72(16) 3_565 . ?
 Cu8 Cu4 Cu2 114.84(12) . 2_665 ?
 Cu8 Cu4 Cu2 157.94(13) 3_565 2_665 ?
 Cu8 Cu4 Cu2 114.84(12) 2_665 3_565 ?
 Cu8 Cu4 Cu2 114.84(12) 3_565 . ?
 Cu8 Cu4 Cu2 157.94(14) 2_665 . ?
 Cu8 Cu4 Cu2 96.54(11) 2_665 2_665 ?
 Cu8 Cu4 Cu2 96.54(11) 3_565 3_565 ?
 Cu8 Cu4 Cu2 157.94(13) . 3_565 ?
 Cu8 Cu4 Cu2 96.54(11) . . ?
 Cu8 Cu4 Cu8 87.03(17) 2_665 . ?
 Cu8 Cu4 Cu8 87.03(17) 3_565 . ?
 Cu8 Cu4 Cu8 87.03(17) 3_565 2_665 ?
 Cu8 Cu4 Cu9 61.47(12) 2_665 2_665 ?
 Cu8 Cu4 Cu9 66.03(13) 2_665 . ?
 Cu8 Cu4 Cu9 61.47(12) . . ?
 Cu8 Cu4 Cu9 66.03(13) 3_565 2_665 ?
 Cu8 Cu4 Cu9 138.2(2) 3_565 . ?
 Cu8 Cu4 Cu9 138.2(2) . 2_665 ?
 Cu9 Cu4 Cu9 119.43(3) 2_665 . ?
 C23 Cu5 C23 102.8(8) 3_565 2_665 ?
 C23 Cu5 C23 102.8(8) 3_565 . ?
 C23 Cu5 C23 102.8(8) . 2_665 ?
 C23 Cu5 Cu6 51.3(6) 3_565 3_565 ?
 C23 Cu5 Cu6 51.3(5) . . ?
 C23 Cu5 Cu6 55.1(6) 2_665 . ?
 C23 Cu5 Cu6 127.0(7) . 2_665 ?
 C23 Cu5 Cu6 51.3(5) 2_665 2_665 ?
 C23 Cu5 Cu6 127.0(7) 3_565 . ?
 C23 Cu5 Cu6 55.1(6) . 3_565 ?
 C23 Cu5 Cu6 55.1(6) 3_565 2_665 ?
 C23 Cu5 Cu6 127.0(7) 2_665 3_565 ?
 C23A Cu5 C23A 100.6(10) 3_565 2_665 ?
 C23A Cu5 C23A 100.6(10) . 3_565 ?
 C23A Cu5 C23A 100.6(10) . 2_665 ?
 C23A Cu5 Cu6A 52.4(7) . 3_565 ?
 C23A Cu5 Cu6A 52.6(7) 3_565 3_565 ?
 C23A Cu5 Cu6A 124.3(8) 2_665 3_565 ?
 C23A Cu5 Cu6A 124.3(8) . 2_665 ?
 C23A Cu5 Cu6A 52.4(7) 3_565 2_665 ?
 C23A Cu5 Cu6A 52.4(7) 2_665 . ?
 C23A Cu5 Cu6A 52.6(7) . . ?
 C23A Cu5 Cu6A 124.2(8) 3_565 . ?
 C23A Cu5 Cu6A 52.6(7) 2_665 2_665 ?
 Cu6 Cu5 Cu6 100.47(14) 3_565 2_665 ?
 Cu6 Cu5 Cu6 100.47(14) 3_565 . ?
 Cu6 Cu5 Cu6 100.47(14) 2_665 . ?
 Cu6A Cu5 Cu6A 99.18(15) 3_565 . ?
 Cu6A Cu5 Cu6A 99.19(15) 3_565 2_665 ?
 Cu6A Cu5 Cu6A 99.19(15) 2_665 . ?
 C22 Cu6 C23 34.3(6) 2_665 2_665 ?
 C22 Cu6 Cu1 118.3(5) 2_665 . ?
 C22 Cu6 Cu3 57.9(4) 2_665 . ?
 C22 Cu6 Cu5 88.8(3) 2_665 . ?
 C23 Cu6 C22 141.8(6) . 2_665 ?
 C23 Cu6 C23 108.0(10) . 2_665 ?
 C23 Cu6 Cu1 120.1(7) 2_665 . ?
 C23 Cu6 Cu1 81.6(7) . . ?
 C23 Cu6 Cu3 109.0(7) . . ?
 C23 Cu6 Cu3 51.8(7) 2_665 . ?
 C23 Cu6 Cu5 55.3(6) 2_665 . ?
 C23 Cu6 Cu5 56.6(6) . . ?
 Cu3 Cu6 Cu1 68.91(12) . . ?
 Cu5 Cu6 Cu1 91.52(14) . . ?
 Cu5 Cu6 Cu3 61.25(10) . . ?
 O1 Cu6 C22 107.9(7) . 2_665 ?
 O1 Cu6 C23 107.6(9) . . ?
 O1 Cu6 C23 141.3(9) . 2_665 ?
 O1 Cu6 Cu1 79.7(6) . . ?
 O1 Cu6 Cu3 126.6(6) . . ?
 O1 Cu6 Cu5 163.3(7) . . ?
 C22 Cu6A C23A 143.3(8) . 2_665 ?
 C22 Cu6A C23A 32.8(8) . . ?
 C22 Cu6A Cu1 108.2(5) . . ?
 C22 Cu6A Cu3 54.0(4) . 3_565 ?
 C22 Cu6A Cu5 89.3(4) . . ?
 C23A Cu6A C23A 110.7(13) 2_665 . ?
 C23A Cu6A Cu1 115.0(9) . . ?
 C23A Cu6A Cu1 90.7(8) 2_665 . ?
 C23A Cu6A Cu3 47.6(9) . 3_565 ?
 C23A Cu6A Cu3 110.3(9) 2_665 3_565 ?
 C23A Cu6A Cu5 58.0(8) . . ?
 C23A Cu6A Cu5 58.0(8) 2_665 . ?
 Cu1 Cu6A Cu3 67.43(12) . 3_565 ?
 Cu5 Cu6A Cu1 92.11(16) . . ?
 Cu5 Cu6A Cu3 57.83(10) . 3_565 ?
 O1A Cu6A C22 108.0(11) . . ?
 O1A Cu6A C23A 105.7(12) . 2_665 ?
 O1A Cu6A C23A 139.2(13) . . ?
 O1A Cu6A Cu1 81.6(7) . . ?
 O1A Cu6A Cu3 132.0(8) . 3_565 ?
 O1A Cu6A Cu5 162.7(10) . . ?
 C1 Cu7 C5 123.1(6) . . ?
 C1 Cu7 C16 154.1(6) . . ?
 C1 Cu7 Cu2 108.5(5) . 2_665 ?
 C1 Cu7 Cu2 145.5(4) . . ?
 C1 Cu7 Cu3 140.0(5) . . ?
 C1 Cu7 Cu8 52.3(4) . . ?
 C1 Cu7 Cu9 51.4(4) . . ?
 C5 Cu7 Cu2 125.1(5) . 2_665 ?
 C5 Cu7 Cu2 85.6(4) . . ?
 C5 Cu7 Cu3 74.4(5) . . ?
 C5 Cu7 Cu8 127.0(5) . . ?
 C5 Cu7 Cu9 165.9(5) . . ?
 C16 Cu7 C5 33.0(4) . . ?
 C16 Cu7 Cu2 92.4(4) . 2_665 ?
 C16 Cu7 Cu2 59.3(4) . . ?
 C16 Cu7 Cu3 45.7(5) . . ?
 C16 Cu7 Cu8 141.3(6) . . ?
 C16 Cu7 Cu9 147.7(5) . . ?
 Cu2 Cu7 Cu2 56.81(11) . 2_665 ?
 Cu2 Cu7 Cu3 60.30(11) . . ?
 Cu2 Cu7 Cu8 96.25(19) . . ?
 Cu2 Cu7 Cu9 104.81(16) . . ?
 Cu3 Cu7 Cu2 53.16(9) . 2_665 ?
 Cu8 Cu7 Cu2 98.04(15) . 2_665 ?
 Cu8 Cu7 Cu3 149.12(17) . . ?
 Cu8A Cu7 C1 67.1(5) . . ?
 Cu8A Cu7 C5 139.7(6) . . ?
 Cu8A Cu7 C16 122.4(6) . . ?
 Cu8A Cu7 Cu2 47.94(19) . 2_665 ?
 Cu8A Cu7 Cu2 104.7(2) . . ?
 Cu8A Cu7 Cu3 77.4(3) . . ?
 Cu8A Cu7 Cu8 91.1(3) . . ?
 Cu8A Cu7 Cu9 29.0(2) . . ?
 Cu9 Cu7 Cu2 57.27(12) . 2_665 ?
 Cu9 Cu7 Cu3 102.27(18) . . ?
 Cu9 Cu7 Cu8 62.16(17) . . ?
 Cu9A Cu7 C1 76.2(5) . . ?
 Cu9A Cu7 C5 94.1(6) . . ?
 Cu9A Cu7 C16 108.4(7) . . ?
 Cu9A Cu7 Cu2 116.6(3) . 2_665 ?
 Cu9A Cu7 Cu2 83.6(3) . . ?
 Cu9A Cu7 Cu3 142.5(3) . . ?
 Cu9A Cu7 Cu8 34.5(3) . . ?
 Cu9A Cu7 Cu8A 125.4(5) . . ?
 Cu9A Cu7 Cu9 96.5(4) . . ?
 C1 Cu7A Cu4 100.0(5) . . ?
 C1 Cu7A Cu8 155.9(6) . 2_665 ?
 C1 Cu7A Cu8A 45.8(5) . . ?
 C1 Cu7A Cu9A 120.5(6) . 2_665 ?
 C1 Cu7A Cu9A 43.5(4) . . ?
 C7 Cu7A C1 127.2(5) . . ?
 C7 Cu7A Cu4 48.6(7) . . ?
 C7 Cu7A Cu8 56.42(17) . 2_665 ?
 C7 Cu7A Cu8A 119.1(7) . . ?
 C7 Cu7A Cu9A 83.2(4) . 2_665 ?
 C7 Cu7A Cu9A 85.3(4) . . ?
 Cu4 Cu7A Cu8A 71.62(19) . . ?
 Cu4 Cu7A Cu9A 60.06(14) . 2_665 ?
 Cu4 Cu7A Cu9A 61.27(14) . . ?
 Cu8 Cu7A C1 64.4(4) . . ?
 Cu8 Cu7A C7 64.8(2) . . ?
 Cu8 Cu7A Cu4 63.61(16) 2_665 . ?
 Cu8 Cu7A Cu4 70.2(2) . . ?
 Cu8 Cu7A Cu8 120.1(3) . 2_665 ?
 Cu8 Cu7A Cu8A 87.8(3) . . ?
 Cu8 Cu7A Cu8A 110.2(3) 2_665 . ?
 Cu8 Cu7A Cu9A 130.2(3) . 2_665 ?
 Cu8 Cu7A Cu9A 124.8(2) 2_665 . ?
 Cu8 Cu7A Cu9A 36.72(18) 2_665 2_665 ?
 Cu8 Cu7A Cu9A 35.2(2) . . ?
 Cu8 Cu7A O3A 148.6(7) . . ?
 Cu8A Cu7A Cu9A 52.63(18) . . ?
 Cu8A Cu7A Cu9A 75.2(2) . 2_665 ?
 Cu9 Cu7A C1 62.1(5) . . ?
 Cu9 Cu7A C7 127.2(8) . . ?
 Cu9 Cu7A Cu4 79.5(3) . . ?
 Cu9 Cu7A Cu8 96.1(3) . 2_665 ?
 Cu9 Cu7A Cu8 111.0(4) . . ?
 Cu9 Cu7A Cu8A 23.2(2) . . ?
 Cu9 Cu7A Cu9A 75.8(3) . . ?
 Cu9 Cu7A Cu9A 59.4(2) . 2_665 ?
 Cu9 Cu7A O3A 92.4(8) . . ?
 Cu9A Cu7A Cu9A 110.0(3) . 2_665 ?
 O3A Cu7A C1 113.4(8) . . ?
 O3A Cu7A C7 117.3(9) . . ?
 O3A Cu7A Cu4 136.9(6) . . ?
 O3A Cu7A Cu8 75.5(6) . 2_665 ?
 O3A Cu7A Cu8A 113.4(8) . . ?
 O3A Cu7A Cu9A 79.3(6) . 2_665 ?
 O3A Cu7A Cu9A 156.9(8) . . ?
 C1 Cu8 Cu4 101.2(5) . . ?
 C1 Cu8 Cu7 44.8(5) . . ?
 C1 Cu8 Cu7A 153.3(6) . 3_565 ?
 C1 Cu8 Cu9 122.6(5) . 3_565 ?
 C1 Cu8 Cu9 47.2(4) . . ?
 C7 Cu8 C1 130.4(5) . . ?
 C7 Cu8 Cu4 48.4(7) . . ?
 C7 Cu8 Cu7 118.5(7) . . ?
 C7 Cu8 Cu7A 56.43(19) . 3_565 ?
 C7 Cu8 Cu9 83.7(4) . . ?
 C7 Cu8 Cu9 79.3(4) . 3_565 ?
 Cu4 Cu8 Cu7 71.10(15) . . ?
 Cu4 Cu8 Cu9 62.08(11) . . ?
 Cu4 Cu8 Cu9 59.56(11) . 3_565 ?
 Cu7 Cu8 Cu9 78.72(17) . 3_565 ?
 Cu7 Cu8 Cu9 56.01(15) . . ?
 Cu7A Cu8 C1 67.8(4) . . ?
 Cu7A Cu8 C7 64.9(2) . . ?
 Cu7A Cu8 Cu4 69.4(2) . . ?
 Cu7A Cu8 Cu4 63.02(16) 3_565 . ?
 Cu7A Cu8 Cu7 108.6(2) 3_565 . ?
 Cu7A Cu8 Cu7 87.5(3) . . ?
 Cu7A Cu8 Cu7A 119.8(3) . 3_565 ?
 Cu7A Cu8 Cu9 31.41(18) 3_565 3_565 ?
 Cu7A Cu8 Cu9 128.9(3) . 3_565 ?
 Cu7A Cu8 Cu9 124.9(2) 3_565 . ?
 Cu7A Cu8 Cu9 31.4(2) . . ?
 Cu7A Cu8 Cu9A 110.5(3) . . ?
 Cu7A Cu8 O4 148.0(7) . 3_565 ?
 Cu9 Cu8 Cu9 114.4(2) . 3_565 ?
 Cu9A Cu8 C1 60.8(5) . . ?
 Cu9A Cu8 C7 125.3(7) . . ?
 Cu9A Cu8 Cu4 78.1(2) . . ?
 Cu9A Cu8 Cu7 23.18(18) . . ?
 Cu9A Cu8 Cu7A 93.8(3) . 3_565 ?
 Cu9A Cu8 Cu9 62.4(2) . 3_565 ?
 Cu9A Cu8 Cu9 79.0(2) . . ?
 Cu9A Cu8 O4 94.9(7) . 3_565 ?
 O4 Cu8 C1 111.9(9) 3_565 . ?
 O4 Cu8 C7 115.9(9) 3_565 . ?
 O4 Cu8 Cu4 137.3(6) 3_565 . ?
 O4 Cu8 Cu7 115.3(7) 3_565 . ?
 O4 Cu8 Cu7A 75.7(7) 3_565 3_565 ?
 O4 Cu8 Cu9 158.5(7) 3_565 . ?
 O4 Cu8 Cu9 79.7(6) 3_565 3_565 ?
 C1 Cu8A C10 121.5(7) . . ?
 C1 Cu8A Cu2 147.1(4) . 2_665 ?
 C1 Cu8A Cu3 132.4(5) . . ?
 C1 Cu8A Cu4 91.5(4) . . ?
 C1 Cu8A Cu7A 54.8(5) . . ?
 C1 Cu8A Cu9A 52.6(4) . . ?
 C10 Cu8A Cu2 90.8(5) . 2_665 ?
 C10 Cu8A Cu3 71.4(7) . . ?
 C10 Cu8A Cu4 145.4(5) . . ?
 C10 Cu8A Cu7A 137.4(7) . . ?
 C10 Cu8A Cu9A 147.9(5) . . ?
 C11 Cu8A C1 152.0(7) . . ?
 C11 Cu8A C10 33.6(9) . . ?
 C11 Cu8A Cu2 60.6(5) . 2_665 ?
 C11 Cu8A Cu3 44.9(6) . . ?
 C11 Cu8A Cu4 116.0(5) . . ?
 C11 Cu8A Cu7A 147.5(6) . . ?
 C11 Cu8A Cu9A 136.1(7) . . ?
 Cu2 Cu8A Cu3 59.64(13) 2_665 . ?
 Cu2 Cu8A Cu4 55.67(12) 2_665 . ?
 Cu2 Cu8A Cu7A 98.3(2) 2_665 . ?
 Cu2 Cu8A Cu9A 103.6(2) 2_665 . ?
 Cu3 Cu8A Cu4 94.94(15) . . ?
 Cu7 Cu8A C1 65.6(5) . . ?
 Cu7 Cu8A C10 125.0(6) . . ?
 Cu7 Cu8A C11 113.9(7) . . ?
 Cu7 Cu8A Cu2 102.4(3) . 2_665 ?
 Cu7 Cu8A Cu3 70.5(3) . . ?
 Cu7 Cu8A Cu4 75.8(2) . . ?
 Cu7 Cu8A Cu7A 93.7(3) . . ?
 Cu7 Cu8A Cu9A 24.2(3) . . ?
 Cu7A Cu8A Cu3 147.2(2) . . ?
 Cu7A Cu8A Cu4 52.61(15) . . ?
 Cu9 Cu8A C1 72.0(5) . . ?
 Cu9 Cu8A C10 114.2(6) . . ?
 Cu9 Cu8A C11 124.0(7) . . ?
 Cu9 Cu8A Cu2 90.3(3) . 2_665 ?
 Cu9 Cu8A Cu3 149.9(3) . . ?
 Cu9 Cu8A Cu4 63.2(2) . . ?
 Cu9 Cu8A Cu7 118.8(4) . . ?
 Cu9 Cu8A Cu7A 25.2(2) . . ?
 Cu9 Cu8A Cu9A 94.5(3) . . ?
 Cu9A Cu8A Cu3 91.2(2) . . ?
 Cu9A Cu8A Cu4 60.10(16) . . ?
 Cu9A Cu8A Cu7A 69.5(2) . . ?
 C1 Cu9 Cu2 118.9(6) . 2_665 ?
 C1 Cu9 Cu4 100.1(3) . . ?
 C1 Cu9 Cu7 48.1(5) . . ?
 C1 Cu9 Cu8 127.6(5) . 2_665 ?
 C1 Cu9 Cu8 51.8(4) . . ?
 C1 Cu9 Cu9A 43.1(4) . . ?
 C1 Cu9 Cu9A 162.6(4) . 2_665 ?
 C1 Cu9 O3 110.6(8) . . ?
 Cu2 Cu9 Cu4 56.88(11) 2_665 . ?
 Cu2 Cu9 Cu8 86.77(13) 2_665 2_665 ?
 Cu2 Cu9 Cu9A 83.60(15) 2_665 . ?
 Cu4 Cu9 Cu8 54.41(10) . 2_665 ?
 Cu4 Cu9 Cu9A 59.35(11) . . ?
 Cu7 Cu9 Cu2 70.90(15) . 2_665 ?
 Cu7 Cu9 Cu4 71.13(14) . . ?
 Cu7 Cu9 Cu8 61.82(17) . . ?
 Cu7 Cu9 Cu8 124.44(18) . 2_665 ?
 Cu7 Cu9 Cu9A 24.98(18) . . ?
 Cu7 Cu9 Cu9A 125.52(19) . 2_665 ?
 Cu7A Cu9 C1 76.2(6) . . ?
 Cu7A Cu9 Cu2 123.7(3) . 2_665 ?
 Cu7A Cu9 Cu4 67.3(2) . . ?
 Cu7A Cu9 Cu7 99.4(3) . . ?
 Cu7A Cu9 Cu8 37.6(2) . . ?
 Cu7A Cu9 Cu8 52.5(2) . 2_665 ?
 Cu7A Cu9 Cu9A 90.5(3) . 2_665 ?
 Cu7A Cu9 Cu9A 74.5(3) . . ?
 Cu7A Cu9 O3 87.3(8) . . ?
 Cu8 Cu9 Cu2 106.54(15) . 2_665 ?
 Cu8 Cu9 Cu4 56.45(11) . . ?
 Cu8 Cu9 Cu8 78.38(19) . 2_665 ?
 Cu8 Cu9 Cu9A 36.93(16) . . ?
 Cu8 Cu9 Cu9A 105.62(17) 2_665 . ?
 Cu8A Cu9 C1 66.5(6) . . ?
 Cu8A Cu9 Cu2 58.6(2) . 2_665 ?
 Cu8A Cu9 Cu4 89.5(2) . . ?
 Cu8A Cu9 Cu7 32.3(2) . . ?
 Cu8A Cu9 Cu7A 131.6(4) . . ?
 Cu8A Cu9 Cu8 94.1(3) . . ?
 Cu8A Cu9 Cu8 141.2(3) . 2_665 ?
 Cu8A Cu9 Cu9A 57.3(3) . . ?
 Cu8A Cu9 Cu9A 117.5(3) . 2_665 ?
 Cu8A Cu9 O3 133.6(7) . . ?
 Cu9A Cu9 Cu2 59.56(15) 2_665 2_665 ?
 Cu9A Cu9 Cu4 63.91(13) 2_665 . ?
 Cu9A Cu9 Cu8 111.0(2) 2_665 . ?
 Cu9A Cu9 Cu8 38.07(18) 2_665 2_665 ?
 Cu9A Cu9 Cu9A 122.8(2) 2_665 . ?
 O3 Cu9 Cu2 125.9(8) . 2_665 ?
 O3 Cu9 Cu4 134.1(5) . . ?
 O3 Cu9 Cu7 153.7(5) . . ?
 O3 Cu9 Cu8 79.7(5) . 2_665 ?
 O3 Cu9 Cu8 121.1(9) . . ?
 O3 Cu9 Cu9A 150.5(8) . . ?
 O3 Cu9 Cu9A 79.5(6) . 2_665 ?
 C1 Cu9A Cu2 127.2(5) . . ?
 C1 Cu9A Cu4 96.7(4) . . ?
 C1 Cu9A Cu7A 117.0(5) . 3_565 ?
 C1 Cu9A Cu7A 48.7(4) . . ?
 C1 Cu9A Cu8A 49.5(5) . . ?
 C1 Cu9A Cu9 42.7(4) . . ?
 C1 Cu9A Cu9 146.6(5) . 3_565 ?
 C1 Cu9A O4A 108.3(9) . 3_565 ?
 Cu2 Cu9A Cu4 56.51(12) . . ?
 Cu2 Cu9A Cu7A 83.23(17) . 3_565 ?
 Cu2 Cu9A Cu7A 104.79(19) . . ?
 Cu2 Cu9A Cu9 90.05(16) . . ?
 Cu4 Cu9A Cu7A 51.76(13) . 3_565 ?
 Cu4 Cu9A Cu7A 52.64(14) . . ?
 Cu4 Cu9A Cu9 56.20(11) . . ?
 Cu7 Cu9A C1 66.7(6) . . ?
 Cu7 Cu9A Cu2 68.1(3) . . ?
 Cu7 Cu9A Cu4 88.9(3) . . ?
 Cu7 Cu9A Cu7A 140.3(3) . 3_565 ?
 Cu7 Cu9A Cu7A 88.2(3) . . ?
 Cu7 Cu9A Cu8 122.3(4) . . ?
 Cu7 Cu9A Cu8A 30.4(3) . . ?
 Cu7 Cu9A Cu9 58.6(3) . . ?
 Cu7 Cu9A Cu9 130.3(4) . 3_565 ?
 Cu7 Cu9A O4A 142.1(7) . 3_565 ?
 Cu7A Cu9A Cu7A 72.7(2) . 3_565 ?
 Cu7A Cu9A Cu9 29.73(16) . . ?
 Cu8 Cu9A C1 68.0(5) . . ?
 Cu8 Cu9A Cu2 118.5(3) . . ?
 Cu8 Cu9A Cu4 63.0(2) . . ?
 Cu8 Cu9A Cu7A 34.31(19) . . ?
 Cu8 Cu9A Cu7A 49.5(2) . 3_565 ?
 Cu8 Cu9A Cu8A 92.1(3) . . ?
 Cu8 Cu9A Cu9 79.6(3) . 3_565 ?
 Cu8 Cu9A Cu9 64.0(2) . . ?
 Cu8 Cu9A O4A 85.5(8) . 3_565 ?
 Cu8A Cu9A Cu2 77.79(18) . . ?
 Cu8A Cu9A Cu4 69.80(16) . . ?
 Cu8A Cu9A Cu7A 119.1(2) . 3_565 ?
 Cu8A Cu9A Cu7A 57.9(2) . . ?
 Cu8A Cu9A Cu9 28.21(17) . . ?
 Cu8A Cu9A Cu9 127.5(2) . 3_565 ?
 Cu9 Cu9A Cu2 62.41(16) 3_565 . ?
 Cu9 Cu9A Cu4 60.17(13) 3_565 . ?
 Cu9 Cu9A Cu7A 96.1(2) . 3_565 ?
 Cu9 Cu9A Cu7A 99.3(2) 3_565 . ?
 Cu9 Cu9A Cu7A 30.06(16) 3_565 3_565 ?
 Cu9 Cu9A Cu9 115.5(2) 3_565 . ?
 O4A Cu9A Cu2 124.2(8) 3_565 . ?
 O4A Cu9A Cu4 128.6(6) 3_565 . ?
 O4A Cu9A Cu7A 117.5(8) 3_565 . ?
 O4A Cu9A Cu7A 76.9(6) 3_565 3_565 ?
 O4A Cu9A Cu8A 155.9(7) 3_565 . ?
 O4A Cu9A Cu9 143.1(8) 3_565 . ?
 O4A Cu9A Cu9 75.7(6) 3_565 3_565 ?
 F4A F4 C32 73(5) . . ?
 F4 F4A C32 80(5) . . ?
 F5A F5 C32 84(4) . . ?
 F5 F5A C32 63(3) . . ?
 C27 O1 Cu6 126.4(15) . . ?
 C27 O1A Cu6A 122.0(17) . . ?
 C27 O2 Cu1 122.7(9) . . ?
 C31 O3 Cu9 125.0(15) . . ?
 C31 O3A Cu7A 123.7(18) . . ?
 C31 O4 Cu8 119.5(17) . 2_665 ?
 C31 O4A Cu9A 126.1(17) . 2_665 ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.561
_oxdiff_exptl_absorpt_empirical_full_min  0.669
loop_
  _twin_individual_id
  _twin_individual_mass_fraction_refined
 1 0.55(12)
 2 0.45(12)


# start Validation Reply Form
_vrf_PLAT308_SD_Cu23a
;
PROBLEM: Single Bonded Metal Atom in Structure  (Unusual)        Cu4 Check 
RESPONSE: We rechecked the coordination enviroment of Cu4. 
There is a tert-Butylacetylene coordinating to this atom
;
# end Validation Reply Form

data_SD/Cu23b
_audit_creation_date              2019-05-16
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number            2013-4
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety          '1(C90 H117 Cu23 F18 O12), 1(C1 Cl3)'
_chemical_formula_sum             'C91 H117 Cl3 Cu23 F18 O12'
_chemical_formula_weight          3312.64
_chemical_melting_point           ?
_chemical_oxdiff_formula          CuC
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cu' 'Cu' -1.9646 0.5888
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'trigonal'
_space_group_IT_number            148
_space_group_name_H-M_alt         'R -3'
_space_group_name_Hall            '-R 3'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 'x+2/3, y+1/3, z+1/3'
 '-y+2/3, x-y+1/3, z+1/3'
 '-x+y+2/3, -x+1/3, z+1/3'
 'x+1/3, y+2/3, z+2/3'
 '-y+1/3, x-y+2/3, z+2/3'
 '-x+y+1/3, -x+2/3, z+2/3'
 '-x, -y, -z'
 'y, -x+y, -z'
 'x-y, x, -z'
 '-x+2/3, -y+1/3, -z+1/3'
 'y+2/3, -x+y+1/3, -z+1/3'
 'x-y+2/3, x+1/3, -z+1/3'
 '-x+1/3, -y+2/3, -z+2/3'
 'y+1/3, -x+y+2/3, -z+2/3'
 'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                    15.5365(12)
_cell_length_b                    15.5365(12)
_cell_length_c                    85.145(5)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 120
_cell_volume                      17799(3)
_cell_formula_units_Z             5.99994
_cell_measurement_reflns_used     1854
_cell_measurement_temperature     99.99(10)
_cell_measurement_theta_max       71.4370
_cell_measurement_theta_min       3.3080
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     5.576
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.64090
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.30c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour             'clear light yellow'
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_modifier    light
_exptl_crystal_colour_primary     yellow
_exptl_crystal_density_diffrn     1.854
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              9834
_exptl_crystal_size_max           0.02
_exptl_crystal_size_mid           0.015
_exptl_crystal_size_min           0.01
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0416
_diffrn_reflns_av_unetI/netI      0.0478
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max        18
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_k_max        18
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_l_max        98
_diffrn_reflns_limit_l_min        -101
_diffrn_reflns_number             16656
_diffrn_reflns_point_group_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full         67.684
_diffrn_reflns_theta_max          66.941
_diffrn_reflns_theta_min          3.114
_diffrn_ambient_environment       N~2~
_diffrn_ambient_temperature       99.99(10)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  28.5714
_diffrn_detector_type             HyPix
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -61.00  17.00   1.00    3.50    --  -48.45  38.00-152.00   78
  2  ω   -120.00 -83.00   1.00    3.50    --  -48.45-125.00-150.00   37
  3  ω   -101.00 -75.00   1.00   20.00    --  -86.25 -59.00 -52.00   26
  4  ω   -153.00-114.00   1.00   20.00    --  -86.25 -59.00 -52.00   39
  5  ω     68.00 149.00   1.00   20.00    --  106.49 168.00   0.00   81
  6  ω    101.00 175.00   1.00   20.00    --  106.49  19.00-180.00   74
  7  ω     36.00 104.00   1.00   20.00    --  106.49 -99.00  90.00   68
;
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method        'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11       0.1116061000
_diffrn_orient_matrix_UB_12       0.0353415000
_diffrn_orient_matrix_UB_13       -0.0015572000
_diffrn_orient_matrix_UB_21       -0.0175583000
_diffrn_orient_matrix_UB_22       -0.0415762000
_diffrn_orient_matrix_UB_23       -0.0168529000
_diffrn_orient_matrix_UB_31       0.0186757000
_diffrn_orient_matrix_UB_32       0.1006272000
_diffrn_orient_matrix_UB_33       -0.0063877000
_diffrn_oxdiff_ac3_digest_frames
;
01a76718ebbec3cb29cbd0b2c823b08cba00403fc9f
;
_diffrn_radiation_collimation     0.3
_diffrn_radiation_monochromator   mirror
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54184
_diffrn_source                    'micro-focus sealed X-ray tube'
_diffrn_source_current            24.0
_diffrn_source_power              1.2
_diffrn_source_target             Mo
_diffrn_source_type               'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage            50.0
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 5342
_reflns_number_total              6939
_reflns_odcompleteness_completeness 98.28
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      66.97
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        'CrysAlisPro 1.171.39.30c (Rigaku OD, 2017)'
_computing_data_collection        'CrysAlisPro 1.171.39.30c (Rigaku OD, 2017)'
_computing_data_reduction         'CrysAlisPro 1.171.39.30c (Rigaku OD, 2017)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2015)'
_computing_structure_solution     ?
_refine_diff_density_max          2.871
_refine_diff_density_min          -3.011
_refine_diff_density_rms          0.216
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.677
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      517
_refine_ls_number_reflns          6939
_refine_ls_number_restraints      267
_refine_ls_R_factor_all           0.1420
_refine_ls_R_factor_gt            0.1226
_refine_ls_restrained_S_all       1.759
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.3699
_refine_ls_wR_factor_ref          0.3974
_refine_special_details
;
 ?
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F6-F4
 2.35 with sigma of 0.01
 F4-F5
 2.35 with sigma of 0.01
 F5-F6
 2.35 with sigma of 0.01
 F6-C9
 2.35 with sigma of 0.01
 F5-C9
 2.35 with sigma of 0.01
 F4-C9
 2.35 with sigma of 0.01
 C32-C9 = C32-F4 = C32-F5 = C32-F6
 1.55 with sigma of 0.01
 C25_$1-C26_$1 = C25_$1-C30_$1 = C25_$1-C29_$1
 1.55 with sigma of 0.01
 C26_$2-C29_$2
 2.35 with sigma of 0.01
 C17_$1-C1A_$1
 1.25 with sigma of 0.01
 C17_$1-C1_$1
 1.25 with sigma of 0.01
 C33-Cl1 = C33-Cl2
 1.75 with sigma of 0.01
 C5-C3 = C5-C15 = C5-C19 = C5-C21
 1.55 with sigma of 0.01
 C11-C4 = C11-C27 = C11-C28 = C11-C31
 1.55 with sigma of 0.01
 C29-C26
 2.35 with sigma of 0.01
 C25-C13 = C25-C26 = C25-C29 = C25-C30
 1.55 with sigma of 0.01
 C13-C29
 2.35 with sigma of 0.01
 C13-C26
 2.35 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F4 \\sim F5 \\sim F6 \\sim O1 \\sim O4 \\sim C9 \\sim C32: within 2A with sigma
of 0.004 and sigma for terminal atoms of 0.008
Cu4 \\sim Cu4A: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008
C4 \\sim C10 \\sim C11 \\sim C27 \\sim C28 \\sim C31: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008
C3 \\sim C5 \\sim C12 \\sim C15 \\sim C19 \\sim C21: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008
C1 \\sim C1A \\sim C2 \\sim C16 \\sim C17 \\sim C18 \\sim C24: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008
F1 \\sim F2 \\sim F3 \\sim O2 \\sim O3 \\sim C14 \\sim C20: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008
Cl1 \\sim Cl2 \\sim C33: within 2A with sigma of 0.004 and sigma for terminal
atoms of 0.008
C8 \\sim C13 \\sim C25 \\sim C26 \\sim C29 \\sim C30: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008
4. Others
 Fixed Sof: Cu1(0.4) Cu1A(0.6) Cu2(0.35) Cu2A(0.65) Cu3(0.3) Cu3A(0.7)
 Cu4(0.3) Cu4A(0.7) Cu5(0.6) Cu5A(0.4) C1(0.75) C1A(0.25) Cl1(0.66667)
 C33(0.33333)
5.a Riding coordinates:
 C13(H13A,H13B,H13C)
5.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C19(H19A,H19B,
 H19C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C),
 C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens    mixed
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Cu1 Cu 0.6277(4) 0.4962(4) 0.57062(7) 0.0585(13) Uani 0.4 1 d . . . . .
 Cu1A Cu 0.5982(2) 0.47045(19) 0.56036(4) 0.0481(7) Uani 0.6 1 d . . . . .
 Cu2 Cu 0.7971(3) 0.5386(3) 0.55995(6) 0.0491(11) Uani 0.35 1 d . . . . .
 Cu2A Cu 0.77304(19) 0.55082(17) 0.57054(4) 0.0524(7) Uani 0.65 1 d . . . . .
 Cu3 Cu 0.6139(4) 0.4275(5) 0.54149(6) 0.0548(14) Uani 0.3 1 d . . . . .
 Cu3A Cu 0.7626(2) 0.4811(2) 0.54199(3) 0.0632(7) Uani 0.7 1 d . . . . .
 Cu4 Cu 0.8246(4) 0.4356(4) 0.62958(6) 0.0514(12) Uani 0.3 1 d . U . . .
 Cu4A Cu 0.79625(16) 0.48266(16) 0.62834(2) 0.0439(6) Uani 0.7 1 d . U . . .
 Cu5 Cu 0.9316(2) 0.5205(2) 0.60128(3) 0.0435(7) Uani 0.6 1 d . . . . .
 Cu5A Cu 0.9087(3) 0.5589(3) 0.60173(5) 0.0432(9) Uani 0.4 1 d . . . . .
 Cu6 Cu 0.6667 0.3333 0.61526(2) 0.0298(5) Uani 1 3 d S T P . .
 Cu7 Cu 0.69781(14) 0.50322(11) 0.60261(2) 0.0509(5) Uani 1 1 d . . . . .
 Cu8 Cu 0.57946(12) 0.35552(15) 0.58506(2) 0.0514(5) Uani 1 1 d . . . . .
 Cu9 Cu 0.6667 0.3333 0.56025(3) 0.0369(6) Uani 1 3 d S T P . .
 F1 F 1.0848(10) 0.7762(11) 0.64291(17) 0.149(4) Uani 1 1 d . U . . .
 F2 F 1.1738(9) 0.7370(11) 0.63430(16) 0.145(4) Uani 1 1 d . U . . .
 F3 F 1.0901(10) 0.6688(11) 0.65499(16) 0.152(4) Uani 1 1 d . U . . .
 F4 F 0.2641(10) 0.3197(11) 0.52466(17) 0.178(5) Uani 1 1 d D U . . .
 F5 F 0.3020(12) 0.4528(14) 0.54232(15) 0.187(5) Uani 1 1 d D U . . .
 F6 F 0.3936(10) 0.4810(13) 0.51850(16) 0.195(5) Uani 1 1 d D U . . .
 O1 O 0.4499(14) 0.3568(17) 0.53271(18) 0.149(4) Uani 1 1 d . U . . .
 O2 O 0.9264(9) 0.5812(10) 0.63702(15) 0.111(3) Uani 1 1 d . U . . .
 O3 O 1.0202(9) 0.6211(11) 0.61661(16) 0.115(3) Uani 1 1 d . U . . .
 O4 O 0.4806(15) 0.4671(18) 0.55034(19) 0.152(4) Uani 1 1 d . U . . .
 C1 C 0.6424(13) 0.4445(9) 0.62555(18) 0.059(2) Uani 0.75 1 d D U . . .
 C1A C 0.721(5) 0.474(4) 0.6265(6) 0.061(3) Uani 0.25 1 d D U . . .
 C2 C 0.7704(17) 0.7115(13) 0.6247(2) 0.099(4) Uani 1 1 d . U . . .
 H2A H 0.7315 0.7039 0.6155 0.148 Uiso 1 1 calc GR . . . .
 H2B H 0.8280 0.7075 0.6219 0.148 Uiso 1 1 calc GR . . . .
 H2C H 0.7909 0.7749 0.6295 0.148 Uiso 1 1 calc GR . . . .
 C3 C 0.5565(11) 0.5490(9) 0.58683(19) 0.069(2) Uani 1 1 d D U . . .
 C4 C 0.8780(10) 0.6574(8) 0.5871(2) 0.080(3) Uani 1 1 d D U . . .
 C5 C 0.5209(8) 0.6238(7) 0.58428(15) 0.069(2) Uani 1 1 d D U . . .
 C6 C 0.6667 0.3333 0.5222(2) 0.051(4) Uani 1 3 d S T P . .
 C7 C 0.6667 0.3333 0.5365(2) 0.065(6) Uani 1 3 d S T P . .
 C8 C 0.7166(17) 0.5815(13) 0.5514(2) 0.095(4) Uani 1 1 d . U . . .
 C9 C 0.4148(12) 0.3914(16) 0.53950(19) 0.154(4) Uani 1 1 d D U . . .
 C10 C 0.8350(12) 0.5755(9) 0.5920(2) 0.083(3) Uani 1 1 d . U . . .
 C11 C 0.9542(8) 0.7647(7) 0.58255(16) 0.083(3) Uani 1 1 d D U . . .
 C12 C 0.5951(12) 0.5035(10) 0.58866(19) 0.070(3) Uani 1 1 d . U . . .
 C13 C 0.6520(12) 0.6698(15) 0.5181(2) 0.135(5) Uani 1 1 d D U . . .
 H13A H 0.6674 0.7156 0.5096 0.203 Uiso 1 1 d R . . . .
 H13B H 0.6016 0.6701 0.5246 0.203 Uiso 1 1 d R . . . .
 H13C H 0.6283 0.6041 0.5140 0.203 Uiso 1 1 d R . . . .
 C14 C 1.0897(16) 0.7028(19) 0.6392(3) 0.128(3) Uani 1 1 d . U . . .
 C15 C 0.5404(14) 0.6895(12) 0.59914(18) 0.091(4) Uani 1 1 d D U . . .
 H15A H 0.5018 0.6485 0.6078 0.137 Uiso 1 1 calc GR . . . .
 H15B H 0.5216 0.7386 0.5970 0.137 Uiso 1 1 calc GR . . . .
 H15C H 0.6097 0.7220 0.6018 0.137 Uiso 1 1 calc GR . . . .
 C16 C 0.6010(15) 0.6130(12) 0.6390(2) 0.087(3) Uani 1 1 d . U . . .
 H16A H 0.6069 0.6746 0.6424 0.131 Uiso 1 1 calc GR . . . .
 H16B H 0.5652 0.5625 0.6467 0.131 Uiso 1 1 calc GR . . . .
 H16C H 0.5659 0.5936 0.6292 0.131 Uiso 1 1 calc GR . . . .
 C17 C 0.6918(10) 0.5331(8) 0.62988(14) 0.062(2) Uani 1 1 d D U . . .
 C18 C 0.7061(13) 0.6264(11) 0.63680(17) 0.074(2) Uani 1 1 d . U . . .
 C19 C 0.4128(9) 0.5617(11) 0.5796(2) 0.086(3) Uani 1 1 d D U . . .
 H19A H 0.4085 0.5469 0.5685 0.129 Uiso 1 1 calc GR . . . .
 H19B H 0.3790 0.5979 0.5817 0.129 Uiso 1 1 calc GR . . . .
 H19C H 0.3822 0.5008 0.5854 0.129 Uiso 1 1 calc GR . . . .
 C20 C 1.0011(14) 0.6252(17) 0.6300(3) 0.115(3) Uani 1 1 d . U . . .
 C21 C 0.5880(11) 0.6985(10) 0.5718(2) 0.080(3) Uani 1 1 d D U . . .
 H21A H 0.6564 0.7224 0.5744 0.120 Uiso 1 1 calc GR . . . .
 H21B H 0.5760 0.7533 0.5714 0.120 Uiso 1 1 calc GR . . . .
 H21C H 0.5737 0.6664 0.5617 0.120 Uiso 1 1 calc GR . . . .
 C22 C 0.6667 0.3333 0.5050(3) 0.070(6) Uani 1 3 d S T P . .
 C23 C 0.5678(12) 0.3191(14) 0.49872(18) 0.083(4) Uani 1 1 d . . . . .
 H23A H 0.5143 0.2711 0.5051 0.124 Uiso 1 1 calc GR . . . .
 H23B H 0.5586 0.2958 0.4881 0.124 Uiso 1 1 calc GR . . . .
 H23C H 0.5687 0.3813 0.4991 0.124 Uiso 1 1 calc GR . . . .
 C24 C 0.7559(16) 0.6416(13) 0.6529(2) 0.096(4) Uani 1 1 d . U . . .
 H24A H 0.8119 0.6317 0.6520 0.145 Uiso 1 1 calc GR . . . .
 H24B H 0.7091 0.5947 0.6603 0.145 Uiso 1 1 calc GR . . . .
 H24C H 0.7779 0.7079 0.6565 0.145 Uiso 1 1 calc GR . . . .
 C25 C 0.7439(12) 0.7002(9) 0.52770(14) 0.105(3) Uani 1 1 d D U . . .
 C26 C 0.8203(14) 0.7108(13) 0.51546(18) 0.107(4) Uani 1 1 d D U . . .
 H26A H 0.7994 0.6474 0.5107 0.161 Uiso 1 1 calc GR . . . .
 H26B H 0.8836 0.7342 0.5204 0.161 Uiso 1 1 calc GR . . . .
 H26C H 0.8260 0.7574 0.5076 0.161 Uiso 1 1 calc GR . . . .
 C27 C 0.8962(11) 0.8153(10) 0.5777(3) 0.091(4) Uani 1 1 d D U . . .
 H27A H 0.8285 0.7658 0.5756 0.136 Uiso 1 1 calc GR . . . .
 H27B H 0.9254 0.8542 0.5684 0.136 Uiso 1 1 calc GR . . . .
 H27C H 0.8981 0.8578 0.5860 0.136 Uiso 1 1 calc GR . . . .
 C28 C 1.0339(11) 0.8103(12) 0.5954(2) 0.096(4) Uani 1 1 d D U . . .
 H28A H 1.0025 0.7998 0.6055 0.144 Uiso 1 1 calc GR . . . .
 H28B H 1.0750 0.8803 0.5935 0.144 Uiso 1 1 calc GR . . . .
 H28C H 1.0741 0.7794 0.5952 0.144 Uiso 1 1 calc GR . . . .
 C29 C 0.7796(17) 0.8085(11) 0.5318(2) 0.124(5) Uani 1 1 d D U . . .
 H29A H 0.7977 0.8474 0.5223 0.187 Uiso 1 1 calc GR . . . .
 H29B H 0.8364 0.8333 0.5386 0.187 Uiso 1 1 calc GR . . . .
 H29C H 0.7273 0.8132 0.5370 0.187 Uiso 1 1 calc GR . . . .
 C30 C 0.7279(18) 0.6290(14) 0.54123(18) 0.099(3) Uani 1 1 d D U . . .
 C31 C 1.0126(11) 0.7677(11) 0.5676(2) 0.090(4) Uani 1 1 d D U . . .
 H31A H 1.0116 0.7057 0.5665 0.135 Uiso 1 1 calc GR . . . .
 H31B H 1.0801 0.8209 0.5684 0.135 Uiso 1 1 calc GR . . . .
 H31C H 0.9821 0.7783 0.5585 0.135 Uiso 1 1 calc GR . . . .
 C32 C 0.3436(10) 0.4119(12) 0.53144(15) 0.170(4) Uani 1 1 d D U . . .
 Cl1 Cl 0.7858(8) 0.4194(7) 0.66696(10) 0.116(2) Uani 0.6667 1 d D U . . .
 Cl2 Cl 0.6667 0.3333 0.69581(15) 0.146(3) Uani 1 3 d DS TU P . .
 C33 C 0.698(4) 0.3133(15) 0.6769(4) 0.131(3) Uani 0.3333 1 d D U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Cu1 Cu1A 0.975(6) . ?
 Cu1 Cu2 2.540(6) . ?
 Cu1 Cu2A 1.975(5) . ?
 Cu1 Cu3 2.666(9) . ?
 Cu1 Cu7 2.914(6) . ?
 Cu1 Cu8 2.282(4) . ?
 Cu1 Cu9 3.013(5) . ?
 Cu1 C3 2.170(14) . ?
 Cu1 C8 2.127(17) . ?
 Cu1 C12 1.639(17) . ?
 Cu1A Cu2 2.892(5) 2_655 ?
 Cu1A Cu2 2.720(5) . ?
 Cu1A Cu2A 2.509(4) . ?
 Cu1A Cu3 1.802(7) . ?
 Cu1A Cu3A 2.927(4) . ?
 Cu1A Cu3A 2.995(4) 2_655 ?
 Cu1A Cu8 2.678(3) . ?
 Cu1A Cu9 2.817(3) . ?
 Cu1A O4 1.993(13) . ?
 Cu1A C8 1.94(2) . ?
 Cu1A C12 2.469(17) . ?
 Cu2 Cu1A 2.892(5) 3_665 ?
 Cu2 Cu2A 1.029(5) . ?
 Cu2 Cu3 2.960(7) 3_665 ?
 Cu2 Cu3 2.939(8) . ?
 Cu2 Cu3A 1.716(6) . ?
 Cu2 Cu8 2.728(4) 3_665 ?
 Cu2 Cu9 2.796(4) . ?
 Cu2 C8 1.838(17) . ?
 Cu2A Cu3A 2.633(4) . ?
 Cu2A Cu7 2.916(4) . ?
 Cu2A Cu8 2.392(3) 3_665 ?
 Cu2A Cu9 3.055(3) . ?
 Cu2A C4 2.163(17) . ?
 Cu2A C8 2.020(17) . ?
 Cu2A C10 2.01(2) . ?
 Cu3 Cu2 2.960(8) 2_655 ?
 Cu3 Cu3A 1.996(7) 2_655 ?
 Cu3 Cu3A 2.026(6) . ?
 Cu3 Cu9 2.562(5) . ?
 Cu3 O1 2.337(17) . ?
 Cu3 C7 2.048(7) . ?
 Cu3 C8 2.27(2) . ?
 Cu3A Cu1A 2.996(4) 3_665 ?
 Cu3A Cu3 1.996(7) 3_665 ?
 Cu3A Cu9 2.547(3) . ?
 Cu3A O1 2.097(13) 3_665 ?
 Cu3A C7 2.071(5) . ?
 Cu3A C8 2.165(16) . ?
 Cu4 Cu4A 1.031(7) . ?
 Cu4 Cu5 2.849(6) . ?
 Cu4 Cu5A 2.915(7) . ?
 Cu4 Cu6 2.476(5) . ?
 Cu4 Cu7 3.007(6) 3_665 ?
 Cu4 O2 2.108(13) . ?
 Cu4 C1 1.134(18) 3_665 ?
 Cu4 C1A 2.13(6) 3_665 ?
 Cu4 C1A 1.99(4) . ?
 Cu4 C17 2.120(14) 3_665 ?
 Cu4A Cu5 2.973(4) . ?
 Cu4A Cu5A 2.742(5) . ?
 Cu4A Cu6 2.451(2) . ?
 Cu4A Cu7 2.780(3) . ?
 Cu4A O2 1.970(11) . ?
 Cu4A C1 2.168(18) . ?
 Cu4A C1 2.004(16) 3_665 ?
 Cu4A C1A 1.11(5) . ?
 Cu4A C17 2.130(12) . ?
 Cu5 Cu5A 0.834(4) . ?
 Cu5 Cu7 2.951(3) 3_665 ?
 Cu5 Cu8 2.531(3) 3_665 ?
 Cu5 O3 1.973(11) . ?
 Cu5 C3 2.230(13) 3_665 ?
 Cu5 C10 2.212(19) . ?
 Cu5 C12 1.965(16) 3_665 ?
 Cu5A Cu7 2.942(4) . ?
 Cu5A Cu8 2.540(4) 3_665 ?
 Cu5A O3 1.967(12) . ?
 Cu5A C4 2.204(16) . ?
 Cu5A C10 1.54(2) . ?
 Cu6 Cu4 2.476(5) 3_665 ?
 Cu6 Cu4 2.476(5) 2_655 ?
 Cu6 Cu4A 2.451(2) 3_665 ?
 Cu6 Cu4A 2.451(2) 2_655 ?
 Cu6 C1 2.131(13) 2_655 ?
 Cu6 C1 2.131(12) 3_665 ?
 Cu6 C1 2.131(13) . ?
 Cu6 C1A 2.13(4) 2_655 ?
 Cu6 C1A 2.13(4) . ?
 Cu6 C1A 2.13(4) 3_665 ?
 Cu7 Cu8 2.581(2) . ?
 Cu7 Cu8 2.631(2) 3_665 ?
 Cu7 C1 2.145(17) . ?
 Cu7 C1A 2.15(5) . ?
 Cu7 C10 2.055(15) . ?
 Cu7 C12 1.991(15) . ?
 Cu7 C17 2.379(11) . ?
 Cu8 Cu2A 2.392(3) 2_655 ?
 Cu8 Cu5 2.531(3) 2_655 ?
 Cu8 Cu5A 2.540(4) 2_655 ?
 Cu8 Cu7 2.631(2) 2_655 ?
 Cu8 Cu8 2.695(2) 2_655 ?
 Cu8 Cu8 2.695(2) 3_665 ?
 Cu8 Cu9 2.624(2) . ?
 Cu8 C10 2.187(14) 2_655 ?
 Cu8 C12 2.209(12) . ?
 Cu9 Cu2 2.796(5) 3_665 ?
 Cu9 Cu3 2.562(5) 3_665 ?
 Cu9 Cu3 2.562(5) 2_655 ?
 Cu9 Cu3A 2.547(3) 3_665 ?
 Cu9 Cu3A 2.547(3) 2_655 ?
 Cu9 Cu8 2.624(2) 3_665 ?
 Cu9 Cu8 2.624(2) 2_655 ?
 Cu9 C7 2.020(19) . ?
 F1 C14 1.22(3) . ?
 F2 C14 1.21(3) . ?
 F3 C14 1.45(3) . ?
 F4 C32 1.464(9) . ?
 F5 C32 1.447(9) . ?
 F6 C32 1.461(9) . ?
 O1 Cu3A 2.097(13) 2_655 ?
 O1 C9 1.10(2) . ?
 O2 C20 1.17(2) . ?
 O3 C20 1.19(2) . ?
 O4 C9 1.44(3) . ?
 C1 Cu4 1.134(18) 2_655 ?
 C1 Cu4A 2.004(16) 2_655 ?
 C1 C1A 1.07(6) . ?
 C1 C17 1.250(10) . ?
 C1A Cu4 2.13(6) 2_655 ?
 C1A C17 1.253(10) . ?
 C2 H2A 0.9600 . ?
 C2 H2B 0.9600 . ?
 C2 H2C 0.9600 . ?
 C2 C18 1.57(3) . ?
 C3 Cu5 2.230(13) 2_655 ?
 C3 C5 1.533(8) . ?
 C3 C12 1.143(15) . ?
 C4 C10 1.179(18) . ?
 C4 C11 1.534(9) . ?
 C5 C15 1.558(10) . ?
 C5 C19 1.515(10) . ?
 C5 C21 1.535(9) . ?
 C6 C7 1.22(3) . ?
 C6 C22 1.46(3) . ?
 C7 Cu3 2.048(7) 3_665 ?
 C7 Cu3 2.048(7) 2_655 ?
 C7 Cu3A 2.071(5) 2_655 ?
 C7 Cu3A 2.071(5) 3_665 ?
 C8 C30 1.091(17) . ?
 C9 C32 1.465(9) . ?
 C10 Cu8 2.187(14) 3_665 ?
 C11 C27 1.519(9) . ?
 C11 C28 1.533(10) . ?
 C11 C31 1.553(10) . ?
 C12 Cu5 1.966(16) 2_655 ?
 C13 H13A 0.9595 . ?
 C13 H13B 0.9603 . ?
 C13 H13C 0.9598 . ?
 C13 C25 1.502(9) . ?
 C14 C20 1.51(2) . ?
 C15 H15A 0.9600 . ?
 C15 H15B 0.9600 . ?
 C15 H15C 0.9600 . ?
 C16 H16A 0.9600 . ?
 C16 H16B 0.9600 . ?
 C16 H16C 0.9600 . ?
 C16 C18 1.55(3) . ?
 C17 Cu4 2.120(14) 2_655 ?
 C17 C18 1.475(16) . ?
 C18 C24 1.53(2) . ?
 C19 H19A 0.9600 . ?
 C19 H19B 0.9600 . ?
 C19 H19C 0.9600 . ?
 C21 H21A 0.9600 . ?
 C21 H21B 0.9600 . ?
 C21 H21C 0.9600 . ?
 C22 C23 1.533(17) . ?
 C22 C23 1.533(17) 2_655 ?
 C22 C23 1.533(17) 3_665 ?
 C23 H23A 0.9600 . ?
 C23 H23B 0.9600 . ?
 C23 H23C 0.9600 . ?
 C24 H24A 0.9600 . ?
 C24 H24B 0.9600 . ?
 C24 H24C 0.9600 . ?
 C25 C26 1.525(7) . ?
 C25 C29 1.525(7) . ?
 C25 C30 1.529(7) . ?
 C26 H26A 0.9600 . ?
 C26 H26B 0.9600 . ?
 C26 H26C 0.9600 . ?
 C27 H27A 0.9600 . ?
 C27 H27B 0.9600 . ?
 C27 H27C 0.9600 . ?
 C28 H28A 0.9600 . ?
 C28 H28B 0.9600 . ?
 C28 H28C 0.9600 . ?
 C29 H29A 0.9600 . ?
 C29 H29B 0.9600 . ?
 C29 H29C 0.9600 . ?
 C31 H31A 0.9600 . ?
 C31 H31B 0.9600 . ?
 C31 H31C 0.9600 . ?
 Cl1 C33 1.60(3) 2_655 ?
 Cl1 C33 1.746(11) . ?
 Cl2 C33 1.753(10) . ?
 Cl2 C33 1.753(10) 3_665 ?
 Cl2 C33 1.753(10) 2_655 ?
 C33 Cl1 1.60(3) 3_665 ?
 C33 C33 1.20(11) 3_665 ?
 C33 C33 1.20(11) 2_655 ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 Cu1A Cu1 Cu2 90.0(4) . . ?
 Cu1A Cu1 Cu2A 112.1(4) . . ?
 Cu1A Cu1 Cu3 22.3(3) . . ?
 Cu1A Cu1 Cu7 160.6(4) . . ?
 Cu1A Cu1 Cu8 103.2(4) . . ?
 Cu1A Cu1 Cu9 69.1(3) . . ?
 Cu1A Cu1 C3 120.0(5) . . ?
 Cu1A Cu1 C8 65.8(7) . . ?
 Cu1A Cu1 C12 140.3(7) . . ?
 Cu2 Cu1 Cu3 68.7(2) . . ?
 Cu2 Cu1 Cu7 90.3(2) . . ?
 Cu2 Cu1 Cu9 59.75(15) . . ?
 Cu2A Cu1 Cu2 22.15(15) . . ?
 Cu2A Cu1 Cu3 90.8(2) . . ?
 Cu2A Cu1 Cu7 70.3(2) . . ?
 Cu2A Cu1 Cu8 99.88(18) . . ?
 Cu2A Cu1 Cu9 72.17(15) . . ?
 Cu2A Cu1 C3 121.9(6) . . ?
 Cu2A Cu1 C8 58.9(6) . . ?
 Cu3 Cu1 Cu7 146.97(18) . . ?
 Cu3 Cu1 Cu9 53.21(16) . . ?
 Cu7 Cu1 Cu9 94.46(11) . . ?
 Cu8 Cu1 Cu2 104.08(17) . . ?
 Cu8 Cu1 Cu3 101.3(2) . . ?
 Cu8 Cu1 Cu7 58.04(12) . . ?
 Cu8 Cu1 Cu9 57.44(11) . . ?
 C3 Cu1 Cu2 141.9(5) . . ?
 C3 Cu1 Cu3 142.1(5) . . ?
 C3 Cu1 Cu7 69.1(4) . . ?
 C3 Cu1 Cu8 91.9(4) . . ?
 C3 Cu1 Cu9 149.1(4) . . ?
 C8 Cu1 Cu2 45.3(5) . . ?
 C8 Cu1 Cu3 55.2(6) . . ?
 C8 Cu1 Cu7 125.7(7) . . ?
 C8 Cu1 Cu8 144.3(4) . . ?
 C8 Cu1 Cu9 87.5(4) . . ?
 C8 Cu1 C3 123.3(6) . . ?
 C12 Cu1 Cu2 129.3(6) . . ?
 C12 Cu1 Cu2A 107.5(6) . . ?
 C12 Cu1 Cu3 159.0(7) . . ?
 C12 Cu1 Cu7 40.9(5) . . ?
 C12 Cu1 Cu8 66.2(4) . . ?
 C12 Cu1 Cu9 122.2(4) . . ?
 C12 Cu1 C3 31.1(5) . . ?
 C12 Cu1 C8 143.7(8) . . ?
 Cu1 Cu1A Cu2 113.9(3) . 2_655 ?
 Cu1 Cu1A Cu2 69.0(3) . . ?
 Cu1 Cu1A Cu2A 46.8(3) . . ?
 Cu1 Cu1A Cu3 145.9(4) . . ?
 Cu1 Cu1A Cu3A 103.7(3) . . ?
 Cu1 Cu1A Cu3A 138.5(3) . 2_655 ?
 Cu1 Cu1A Cu8 56.1(3) . . ?
 Cu1 Cu1A Cu9 92.0(3) . . ?
 Cu1 Cu1A O4 129.2(6) . . ?
 Cu1 Cu1A C8 87.0(7) . . ?
 Cu1 Cu1A C12 25.1(5) . . ?
 Cu2 Cu1A Cu2 119.25(18) . 2_655 ?
 Cu2 Cu1A Cu3A 35.14(14) . . ?
 Cu2 Cu1A Cu3A 33.84(13) 2_655 2_655 ?
 Cu2 Cu1A Cu3A 100.49(15) 2_655 . ?
 Cu2 Cu1A Cu3A 101.87(16) . 2_655 ?
 Cu2 Cu1A Cu9 60.63(11) . . ?
 Cu2A Cu1A Cu2 22.23(13) . . ?
 Cu2A Cu1A Cu2 124.58(13) . 2_655 ?
 Cu2A Cu1A Cu3A 118.74(14) . 2_655 ?
 Cu2A Cu1A Cu3A 57.31(12) . . ?
 Cu2A Cu1A Cu8 77.91(11) . . ?
 Cu2A Cu1A Cu9 69.73(9) . . ?
 Cu3 Cu1A Cu2 78.2(2) . . ?
 Cu3 Cu1A Cu2 74.1(2) . 2_655 ?
 Cu3 Cu1A Cu2A 100.3(2) . . ?
 Cu3 Cu1A Cu3A 40.3(2) . 2_655 ?
 Cu3 Cu1A Cu3A 43.03(19) . . ?
 Cu3 Cu1A Cu8 116.3(2) . . ?
 Cu3 Cu1A Cu9 62.93(17) . . ?
 Cu3 Cu1A O4 84.3(5) . . ?
 Cu3 Cu1A C8 74.5(6) . . ?
 Cu3 Cu1A C12 165.3(3) . . ?
 Cu3A Cu1A Cu3A 72.32(14) . 2_655 ?
 Cu8 Cu1A Cu2 89.63(12) . . ?
 Cu8 Cu1A Cu2 58.49(11) . 2_655 ?
 Cu8 Cu1A Cu3A 104.98(11) . . ?
 Cu8 Cu1A Cu3A 84.38(9) . 2_655 ?
 Cu8 Cu1A Cu9 56.97(7) . . ?
 Cu9 Cu1A Cu2 58.64(10) . 2_655 ?
 Cu9 Cu1A Cu3A 52.60(8) . . ?
 Cu9 Cu1A Cu3A 51.87(8) . 2_655 ?
 O4 Cu1A Cu2 148.5(7) . . ?
 O4 Cu1A Cu2 79.8(7) . 2_655 ?
 O4 Cu1A Cu2A 155.6(7) . . ?
 O4 Cu1A Cu3A 80.1(6) . 2_655 ?
 O4 Cu1A Cu3A 122.3(5) . . ?
 O4 Cu1A Cu8 121.7(7) . . ?
 O4 Cu1A Cu9 131.8(6) . . ?
 O4 Cu1A C12 108.1(6) . . ?
 C8 Cu1A Cu2 42.5(5) . . ?
 C8 Cu1A Cu2 146.8(5) . 2_655 ?
 C8 Cu1A Cu2A 52.1(6) . . ?
 C8 Cu1A Cu3A 47.7(5) . . ?
 C8 Cu1A Cu3A 114.0(5) . 2_655 ?
 C8 Cu1A Cu8 129.9(6) . . ?
 C8 Cu1A Cu9 97.0(4) . . ?
 C8 Cu1A O4 107.6(9) . . ?
 C8 Cu1A C12 108.0(7) . . ?
 C12 Cu1A Cu2 99.7(4) . 2_655 ?
 C12 Cu1A Cu2 93.9(4) . . ?
 C12 Cu1A Cu2A 71.8(4) . . ?
 C12 Cu1A Cu3A 132.2(3) . 2_655 ?
 C12 Cu1A Cu3A 128.1(4) . . ?
 C12 Cu1A Cu8 50.6(3) . . ?
 C12 Cu1A Cu9 102.4(3) . . ?
 Cu1 Cu2 Cu1A 21.00(15) . . ?
 Cu1 Cu2 Cu1A 123.44(17) . 3_665 ?
 Cu1 Cu2 Cu3 118.4(3) . 3_665 ?
 Cu1 Cu2 Cu3 57.7(2) . . ?
 Cu1 Cu2 Cu8 77.56(15) . 3_665 ?
 Cu1 Cu2 Cu9 68.55(16) . . ?
 Cu1A Cu2 Cu1A 120.72(18) . 3_665 ?
 Cu1A Cu2 Cu3 35.86(16) 3_665 3_665 ?
 Cu1A Cu2 Cu3 101.7(2) 3_665 . ?
 Cu1A Cu2 Cu3 103.4(2) . 3_665 ?
 Cu1A Cu2 Cu3 36.88(16) . . ?
 Cu1A Cu2 Cu8 89.83(14) . 3_665 ?
 Cu1A Cu2 Cu9 61.39(11) . . ?
 Cu2A Cu2 Cu1 46.3(3) . . ?
 Cu2A Cu2 Cu1A 67.3(3) . . ?
 Cu2A Cu2 Cu1A 116.2(3) . 3_665 ?
 Cu2A Cu2 Cu3 104.0(3) . . ?
 Cu2A Cu2 Cu3 142.9(3) . 3_665 ?
 Cu2A Cu2 Cu3A 145.9(4) . . ?
 Cu2A Cu2 Cu8 60.3(2) . 3_665 ?
 Cu2A Cu2 Cu9 94.5(3) . . ?
 Cu2A Cu2 C8 84.6(6) . . ?
 Cu3 Cu2 Cu3 72.1(3) . 3_665 ?
 Cu3A Cu2 Cu1 99.8(3) . . ?
 Cu3A Cu2 Cu1A 79.0(2) . . ?
 Cu3A Cu2 Cu1A 76.4(2) . 3_665 ?
 Cu3A Cu2 Cu3 42.15(19) . . ?
 Cu3A Cu2 Cu3 40.5(2) . 3_665 ?
 Cu3A Cu2 Cu8 116.6(2) . 3_665 ?
 Cu3A Cu2 Cu9 63.55(18) . . ?
 Cu3A Cu2 C8 75.0(6) . . ?
 Cu8 Cu2 Cu1A 56.83(11) 3_665 3_665 ?
 Cu8 Cu2 Cu3 84.66(17) 3_665 3_665 ?
 Cu8 Cu2 Cu3 105.59(16) 3_665 . ?
 Cu8 Cu2 Cu9 56.70(9) 3_665 . ?
 Cu9 Cu2 Cu1A 59.34(10) . 3_665 ?
 Cu9 Cu2 Cu3 52.76(13) . 3_665 ?
 Cu9 Cu2 Cu3 52.99(14) . . ?
 C8 Cu2 Cu1 55.4(6) . . ?
 C8 Cu2 Cu1A 150.4(7) . 3_665 ?
 C8 Cu2 Cu1A 45.5(6) . . ?
 C8 Cu2 Cu3 50.6(7) . . ?
 C8 Cu2 Cu3 115.2(7) . 3_665 ?
 C8 Cu2 Cu8 132.9(6) . 3_665 ?
 C8 Cu2 Cu9 100.4(7) . . ?
 Cu1 Cu2A Cu1A 21.10(18) . . ?
 Cu1 Cu2A Cu3A 90.2(2) . . ?
 Cu1 Cu2A Cu7 70.15(19) . . ?
 Cu1 Cu2A Cu8 97.82(14) . 3_665 ?
 Cu1 Cu2A Cu9 69.85(17) . . ?
 Cu1 Cu2A C4 126.1(5) . . ?
 Cu1 Cu2A C8 64.3(6) . . ?
 Cu1 Cu2A C10 114.4(5) . . ?
 Cu1A Cu2A Cu3A 69.36(12) . . ?
 Cu1A Cu2A Cu7 90.01(12) . . ?
 Cu1A Cu2A Cu9 59.88(8) . . ?
 Cu2 Cu2A Cu1 111.5(4) . . ?
 Cu2 Cu2A Cu1A 90.5(3) . . ?
 Cu2 Cu2A Cu3A 21.4(3) . . ?
 Cu2 Cu2A Cu7 155.5(3) . . ?
 Cu2 Cu2A Cu8 97.7(3) . 3_665 ?
 Cu2 Cu2A Cu9 65.8(3) . . ?
 Cu2 Cu2A C4 120.4(6) . . ?
 Cu2 Cu2A C8 64.9(6) . . ?
 Cu2 Cu2A C10 130.4(6) . . ?
 Cu3A Cu2A Cu7 145.66(11) . . ?
 Cu3A Cu2A Cu9 52.58(9) . . ?
 Cu7 Cu2A Cu9 93.53(8) . . ?
 Cu8 Cu2A Cu1A 103.40(11) 3_665 . ?
 Cu8 Cu2A Cu3A 98.78(12) 3_665 . ?
 Cu8 Cu2A Cu7 58.43(8) 3_665 . ?
 Cu8 Cu2A Cu9 56.01(7) 3_665 . ?
 C4 Cu2A Cu1A 145.1(5) . . ?
 C4 Cu2A Cu3A 141.5(4) . . ?
 C4 Cu2A Cu7 68.8(4) . . ?
 C4 Cu2A Cu8 89.1(4) . 3_665 ?
 C4 Cu2A Cu9 144.8(4) . . ?
 C8 Cu2A Cu1A 49.4(6) . . ?
 C8 Cu2A Cu3A 53.5(5) . . ?
 C8 Cu2A Cu7 130.6(6) . . ?
 C8 Cu2A Cu8 144.3(6) . 3_665 ?
 C8 Cu2A Cu9 88.3(5) . . ?
 C8 Cu2A C4 126.5(7) . . ?
 C10 Cu2A Cu1A 134.8(5) . . ?
 C10 Cu2A Cu3A 147.5(5) . . ?
 C10 Cu2A Cu7 44.8(4) . . ?
 C10 Cu2A Cu8 58.8(4) . 3_665 ?
 C10 Cu2A Cu9 114.5(4) . . ?
 C10 Cu2A C4 32.6(5) . . ?
 C10 Cu2A C8 155.8(7) . . ?
 Cu1 Cu3 Cu2 53.62(18) . . ?
 Cu1 Cu3 Cu2 74.30(19) . 2_655 ?
 Cu1A Cu3 Cu1 11.85(13) . . ?
 Cu1A Cu3 Cu2 70.0(2) . 2_655 ?
 Cu1A Cu3 Cu2 65.0(2) . . ?
 Cu1A Cu3 Cu3A 104.0(3) . 2_655 ?
 Cu1A Cu3 Cu3A 99.6(3) . . ?
 Cu1A Cu3 Cu9 78.28(18) . . ?
 Cu1A Cu3 O1 98.1(5) . . ?
 Cu1A Cu3 C7 128.7(6) . . ?
 Cu1A Cu3 C8 55.6(5) . . ?
 Cu2 Cu3 Cu2 110.4(2) . 2_655 ?
 Cu3A Cu3 Cu1 107.5(2) 2_655 . ?
 Cu3A Cu3 Cu1 88.2(2) . . ?
 Cu3A Cu3 Cu2 34.65(16) . . ?
 Cu3A Cu3 Cu2 127.2(2) 2_655 . ?
 Cu3A Cu3 Cu2 33.97(15) 2_655 2_655 ?
 Cu3A Cu3 Cu2 126.6(2) . 2_655 ?
 Cu3A Cu3 Cu3A 120.7(3) 2_655 . ?
 Cu3A Cu3 Cu9 66.61(15) 2_655 . ?
 Cu3A Cu3 Cu9 66.26(15) . . ?
 Cu3A Cu3 O1 162.0(5) . . ?
 Cu3A Cu3 O1 57.2(5) 2_655 . ?
 Cu3A Cu3 C7 61.11(19) . . ?
 Cu3A Cu3 C7 61.6(2) 2_655 . ?
 Cu3A Cu3 C8 60.2(5) . . ?
 Cu3A Cu3 C8 157.1(5) 2_655 . ?
 Cu9 Cu3 Cu1 70.35(15) . . ?
 Cu9 Cu3 Cu2 60.34(13) . 2_655 ?
 Cu9 Cu3 Cu2 60.64(13) . . ?
 O1 Cu3 Cu1 109.7(5) . . ?
 O1 Cu3 Cu2 162.9(5) . . ?
 O1 Cu3 Cu2 63.3(5) . 2_655 ?
 O1 Cu3 Cu9 121.0(5) . . ?
 C7 Cu3 Cu1 119.8(5) . . ?
 C7 Cu3 Cu2 84.5(3) . 2_655 ?
 C7 Cu3 Cu2 85.1(3) . . ?
 C7 Cu3 Cu9 50.5(5) . . ?
 C7 Cu3 O1 109.2(6) . . ?
 C7 Cu3 C8 120.5(6) . . ?
 C8 Cu3 Cu1 50.3(4) . . ?
 C8 Cu3 Cu2 124.6(5) . 2_655 ?
 C8 Cu3 Cu2 38.7(4) . . ?
 C8 Cu3 Cu9 96.6(4) . . ?
 C8 Cu3 O1 129.8(7) . . ?
 Cu1A Cu3A Cu1A 110.91(14) . 3_665 ?
 Cu2 Cu3A Cu1A 69.77(18) . 3_665 ?
 Cu2 Cu3A Cu1A 65.83(18) . . ?
 Cu2 Cu3A Cu2A 12.66(16) . . ?
 Cu2 Cu3A Cu3 103.2(3) . . ?
 Cu2 Cu3A Cu3 105.5(3) . 3_665 ?
 Cu2 Cu3A Cu9 79.35(16) . . ?
 Cu2 Cu3A O1 95.4(6) . 3_665 ?
 Cu2 Cu3A C7 129.9(5) . . ?
 Cu2 Cu3A C8 55.1(5) . . ?
 Cu2A Cu3A Cu1A 53.33(10) . . ?
 Cu2A Cu3A Cu1A 75.88(11) . 3_665 ?
 Cu3 Cu3A Cu1A 128.85(18) 3_665 . ?
 Cu3 Cu3A Cu1A 35.73(19) 3_665 3_665 ?
 Cu3 Cu3A Cu1A 37.4(2) . . ?
 Cu3 Cu3A Cu1A 127.42(18) . 3_665 ?
 Cu3 Cu3A Cu2A 90.7(2) . . ?
 Cu3 Cu3A Cu2A 111.0(2) 3_665 . ?
 Cu3 Cu3A Cu3 119.2(3) 3_665 . ?
 Cu3 Cu3A Cu9 67.01(15) . . ?
 Cu3 Cu3A Cu9 67.39(15) 3_665 . ?
 Cu3 Cu3A O1 155.5(5) . 3_665 ?
 Cu3 Cu3A O1 69.6(6) 3_665 3_665 ?
 Cu3 Cu3A C7 60.0(2) . . ?
 Cu3 Cu3A C7 60.42(19) 3_665 . ?
 Cu3 Cu3A C8 159.5(5) 3_665 . ?
 Cu3 Cu3A C8 65.5(7) . . ?
 Cu9 Cu3A Cu1A 60.45(8) . 3_665 ?
 Cu9 Cu3A Cu1A 61.47(8) . . ?
 Cu9 Cu3A Cu2A 72.26(9) . . ?
 O1 Cu3A Cu1A 74.0(5) 3_665 3_665 ?
 O1 Cu3A Cu1A 155.5(6) 3_665 . ?
 O1 Cu3A Cu2A 107.9(5) 3_665 . ?
 O1 Cu3A Cu9 133.2(6) 3_665 . ?
 O1 Cu3A C8 115.1(9) 3_665 . ?
 C7 Cu3A Cu1A 86.2(3) . . ?
 C7 Cu3A Cu1A 84.4(3) . 3_665 ?
 C7 Cu3A Cu2A 121.7(5) . . ?
 C7 Cu3A Cu9 50.6(5) . . ?
 C7 Cu3A O1 118.3(7) . 3_665 ?
 C7 Cu3A C8 124.6(7) . . ?
 C8 Cu3A Cu1A 124.3(5) . 3_665 ?
 C8 Cu3A Cu1A 41.6(5) . . ?
 C8 Cu3A Cu2A 48.6(5) . . ?
 C8 Cu3A Cu9 99.8(4) . . ?
 Cu4A Cu4 Cu5 86.7(4) . . ?
 Cu4A Cu4 Cu5A 70.1(3) . . ?
 Cu4A Cu4 Cu6 76.5(3) . . ?
 Cu4A Cu4 Cu7 118.7(3) . 3_665 ?
 Cu4A Cu4 O2 68.1(6) . . ?
 Cu4A Cu4 C1 135.6(8) . 3_665 ?
 Cu4A Cu4 C1A 129.2(8) . 3_665 ?
 Cu4A Cu4 C1A 23.0(18) . . ?
 Cu4A Cu4 C17 163.5(6) . 3_665 ?
 Cu5 Cu4 Cu5A 16.59(9) . . ?
 Cu5 Cu4 Cu7 60.45(13) . 3_665 ?
 Cu5A Cu4 Cu7 71.87(16) . 3_665 ?
 Cu6 Cu4 Cu5 92.41(17) . . ?
 Cu6 Cu4 Cu5A 89.75(18) . . ?
 Cu6 Cu4 Cu7 57.10(11) . 3_665 ?
 O2 Cu4 Cu5 78.8(4) . . ?
 O2 Cu4 Cu5A 71.9(4) . . ?
 O2 Cu4 Cu6 143.8(6) . . ?
 O2 Cu4 Cu7 137.1(5) . 3_665 ?
 O2 Cu4 C1A 161.6(10) . 3_665 ?
 O2 Cu4 C17 128.5(6) . 3_665 ?
 C1 Cu4 Cu5 92.0(9) 3_665 . ?
 C1 Cu4 Cu5A 104.7(9) 3_665 . ?
 C1 Cu4 Cu6 59.2(6) 3_665 . ?
 C1 Cu4 Cu7 32.9(8) 3_665 3_665 ?
 C1 Cu4 O2 154.6(10) 3_665 . ?
 C1 Cu4 C1A 114.5(18) 3_665 . ?
 C1 Cu4 C1A 15.1(15) 3_665 3_665 ?
 C1 Cu4 C17 28.7(7) 3_665 3_665 ?
 C1A Cu4 Cu5 106.1(13) 3_665 . ?
 C1A Cu4 Cu5 97.0(16) . . ?
 C1A Cu4 Cu5A 117.2(13) 3_665 . ?
 C1A Cu4 Cu5A 82.0(17) . . ?
 C1A Cu4 Cu6 55.7(16) . . ?
 C1A Cu4 Cu6 54.4(7) 3_665 . ?
 C1A Cu4 Cu7 45.8(13) 3_665 3_665 ?
 C1A Cu4 Cu7 106.7(13) . 3_665 ?
 C1A Cu4 O2 90.3(18) . . ?
 C1A Cu4 C1A 106(2) . 3_665 ?
 C1A Cu4 C17 140.6(18) . 3_665 ?
 C17 Cu4 Cu5 97.3(4) 3_665 . ?
 C17 Cu4 Cu5A 113.5(4) 3_665 . ?
 C17 Cu4 Cu6 87.2(4) 3_665 . ?
 C17 Cu4 Cu7 51.9(3) 3_665 3_665 ?
 C17 Cu4 C1A 34.3(6) 3_665 3_665 ?
 Cu4 Cu4A Cu5 73.1(4) . . ?
 Cu4 Cu4A Cu5A 89.2(4) . . ?
 Cu4 Cu4A Cu6 79.3(3) . . ?
 Cu4 Cu4A Cu7 128.1(3) . . ?
 Cu4 Cu4A O2 82.9(6) . . ?
 Cu4 Cu4A C1 23.3(5) . 3_665 ?
 Cu4 Cu4A C1 128.4(5) . . ?
 Cu4 Cu4A C1A 136(2) . . ?
 Cu4 Cu4A C17 158.3(5) . . ?
 Cu5A Cu4A Cu5 16.13(9) . . ?
 Cu5A Cu4A Cu7 64.38(11) . . ?
 Cu6 Cu4A Cu5 90.00(9) . . ?
 Cu6 Cu4A Cu5A 94.46(11) . . ?
 Cu6 Cu4A Cu7 60.79(6) . . ?
 Cu7 Cu4A Cu5 75.05(9) . . ?
 O2 Cu4A Cu5 77.8(4) . . ?
 O2 Cu4A Cu5A 77.9(4) . . ?
 O2 Cu4A Cu6 160.8(5) . . ?
 O2 Cu4A Cu7 128.0(5) . . ?
 O2 Cu4A C1 105.8(7) . 3_665 ?
 O2 Cu4A C1 144.6(6) . . ?
 O2 Cu4A C17 111.4(6) . . ?
 C1 Cu4A Cu5 122.9(4) . . ?
 C1 Cu4A Cu5 74.3(5) 3_665 . ?
 C1 Cu4A Cu5A 113.9(5) . . ?
 C1 Cu4A Cu5A 89.6(5) 3_665 . ?
 C1 Cu4A Cu6 54.5(3) . . ?
 C1 Cu4A Cu6 56.1(4) 3_665 . ?
 C1 Cu4A Cu7 49.5(4) . . ?
 C1 Cu4A Cu7 108.2(4) 3_665 . ?
 C1 Cu4A C1 107.4(7) 3_665 . ?
 C1 Cu4A C17 140.9(6) 3_665 . ?
 C1A Cu4A Cu5 120(3) . . ?
 C1A Cu4A Cu5A 110(3) . . ?
 C1A Cu4A Cu6 60(2) . . ?
 C1A Cu4A Cu7 46(3) . . ?
 C1A Cu4A O2 139(2) . . ?
 C1A Cu4A C1 8(3) . . ?
 C1A Cu4A C1 114(2) . 3_665 ?
 C1A Cu4A C17 28(2) . . ?
 C17 Cu4A Cu5 124.7(4) . . ?
 C17 Cu4A Cu5A 109.3(4) . . ?
 C17 Cu4A Cu6 87.7(3) . . ?
 C17 Cu4A Cu7 56.1(3) . . ?
 C17 Cu4A C1 33.8(3) . . ?
 Cu4 Cu5 Cu4A 20.25(14) . . ?
 Cu4 Cu5 Cu7 62.42(13) . 3_665 ?
 Cu5A Cu5 Cu4 86.2(4) . . ?
 Cu5A Cu5 Cu4A 66.0(4) . . ?
 Cu5A Cu5 Cu7 123.0(4) . 3_665 ?
 Cu5A Cu5 Cu8 81.1(3) . 3_665 ?
 Cu5A Cu5 O3 77.4(6) . . ?
 Cu5A Cu5 C3 148.9(6) . 3_665 ?
 Cu5A Cu5 C10 29.0(5) . . ?
 Cu5A Cu5 C12 136.8(5) . 3_665 ?
 Cu7 Cu5 Cu4A 75.26(8) 3_665 . ?
 Cu8 Cu5 Cu4 91.17(13) 3_665 . ?
 Cu8 Cu5 Cu4A 86.43(10) 3_665 . ?
 Cu8 Cu5 Cu7 55.53(7) 3_665 3_665 ?
 O3 Cu5 Cu4 79.7(4) . . ?
 O3 Cu5 Cu4A 77.8(4) . . ?
 O3 Cu5 Cu7 133.2(5) . 3_665 ?
 O3 Cu5 Cu8 157.1(5) . 3_665 ?
 O3 Cu5 C3 118.4(6) . 3_665 ?
 O3 Cu5 C10 105.6(7) . . ?
 C3 Cu5 Cu4 121.6(4) 3_665 . ?
 C3 Cu5 Cu4A 140.3(4) 3_665 . ?
 C3 Cu5 Cu7 67.7(4) 3_665 3_665 ?
 C3 Cu5 Cu8 84.3(3) 3_665 3_665 ?
 C10 Cu5 Cu4 97.4(5) . . ?
 C10 Cu5 Cu4A 78.7(5) . . ?
 C10 Cu5 Cu7 105.6(4) . 3_665 ?
 C10 Cu5 Cu8 54.4(4) . 3_665 ?
 C10 Cu5 C3 124.2(6) . 3_665 ?
 C12 Cu5 Cu4 104.0(5) 3_665 . ?
 C12 Cu5 Cu4A 117.0(4) 3_665 . ?
 C12 Cu5 Cu7 42.1(4) 3_665 3_665 ?
 C12 Cu5 Cu8 57.2(4) 3_665 3_665 ?
 C12 Cu5 O3 145.3(7) 3_665 . ?
 C12 Cu5 C3 30.8(5) 3_665 3_665 ?
 C12 Cu5 C10 108.0(6) 3_665 . ?
 Cu4 Cu5A Cu7 73.67(16) . . ?
 Cu4A Cu5A Cu4 20.70(14) . . ?
 Cu4A Cu5A Cu7 58.45(10) . . ?
 Cu5 Cu5A Cu4 77.2(4) . . ?
 Cu5 Cu5A Cu4A 97.9(4) . . ?
 Cu5 Cu5A Cu7 127.0(4) . . ?
 Cu5 Cu5A Cu8 79.9(3) . 3_665 ?
 Cu5 Cu5A O3 78.2(6) . . ?
 Cu5 Cu5A C4 142.0(6) . . ?
 Cu5 Cu5A C10 135.7(7) . . ?
 Cu8 Cu5A Cu4 89.50(16) 3_665 . ?
 Cu8 Cu5A Cu4A 91.39(13) 3_665 . ?
 Cu8 Cu5A Cu7 56.80(9) 3_665 . ?
 O3 Cu5A Cu4 78.1(5) . . ?
 O3 Cu5A Cu4A 83.9(5) . . ?
 O3 Cu5A Cu7 134.9(5) . . ?
 O3 Cu5A Cu8 156.8(6) . 3_665 ?
 O3 Cu5A C4 117.8(7) . . ?
 C4 Cu5A Cu4 137.4(5) . . ?
 C4 Cu5A Cu4A 117.1(5) . . ?
 C4 Cu5A Cu7 67.8(4) . . ?
 C4 Cu5A Cu8 84.6(4) . 3_665 ?
 C10 Cu5A Cu4 115.0(6) . . ?
 C10 Cu5A Cu4A 98.6(6) . . ?
 C10 Cu5A Cu7 41.3(6) . . ?
 C10 Cu5A Cu8 58.9(5) . 3_665 ?
 C10 Cu5A O3 144.3(8) . . ?
 C10 Cu5A C4 30.6(6) . . ?
 Cu4 Cu6 Cu4 97.84(18) 3_665 . ?
 Cu4 Cu6 Cu4 97.83(18) . 2_655 ?
 Cu4 Cu6 Cu4 97.84(18) 3_665 2_655 ?
 Cu4A Cu6 Cu4 24.14(15) 2_655 2_655 ?
 Cu4A Cu6 Cu4 24.14(15) 3_665 3_665 ?
 Cu4A Cu6 Cu4 79.19(16) . 2_655 ?
 Cu4A Cu6 Cu4 79.18(16) 3_665 . ?
 Cu4A Cu6 Cu4 115.39(17) 3_665 2_655 ?
 Cu4A Cu6 Cu4 24.14(16) . . ?
 Cu4A Cu6 Cu4 115.39(17) 2_655 . ?
 Cu4A Cu6 Cu4 79.19(16) 2_655 3_665 ?
 Cu4A Cu6 Cu4 115.40(17) . 3_665 ?
 Cu4A Cu6 Cu4A 100.96(8) . 2_655 ?
 Cu4A Cu6 Cu4A 100.96(8) 3_665 2_655 ?
 Cu4A Cu6 Cu4A 100.96(8) 3_665 . ?
 C1 Cu6 Cu4 27.2(5) 3_665 . ?
 C1 Cu6 Cu4 78.3(5) . . ?
 C1 Cu6 Cu4 27.2(5) 2_655 3_665 ?
 C1 Cu6 Cu4 119.0(5) 3_665 2_655 ?
 C1 Cu6 Cu4 78.3(5) 3_665 3_665 ?
 C1 Cu6 Cu4 27.2(5) . 2_655 ?
 C1 Cu6 Cu4 119.0(5) . 3_665 ?
 C1 Cu6 Cu4 119.0(5) 2_655 . ?
 C1 Cu6 Cu4 78.3(5) 2_655 2_655 ?
 C1 Cu6 Cu4A 51.3(5) 3_665 . ?
 C1 Cu6 Cu4A 56.0(4) 2_655 2_655 ?
 C1 Cu6 Cu4A 51.3(5) 2_655 3_665 ?
 C1 Cu6 Cu4A 128.6(4) 2_655 . ?
 C1 Cu6 Cu4A 51.3(5) . 2_655 ?
 C1 Cu6 Cu4A 56.0(5) . . ?
 C1 Cu6 Cu4A 56.0(5) 3_665 3_665 ?
 C1 Cu6 Cu4A 128.6(4) 3_665 2_655 ?
 C1 Cu6 Cu4A 128.6(4) . 3_665 ?
 C1 Cu6 C1 104.3(5) 3_665 2_655 ?
 C1 Cu6 C1 104.3(5) 3_665 . ?
 C1 Cu6 C1 104.3(5) 2_655 . ?
 C1A Cu6 Cu4 123.8(14) 2_655 . ?
 C1A Cu6 Cu4 54.4(15) . 2_655 ?
 C1A Cu6 Cu4 50.4(13) 3_665 3_665 ?
 C1A Cu6 Cu4 123.8(14) . 3_665 ?
 C1A Cu6 Cu4 54.4(15) 2_655 3_665 ?
 C1A Cu6 Cu4 123.8(14) 3_665 2_655 ?
 C1A Cu6 Cu4 50.4(13) 2_655 2_655 ?
 C1A Cu6 Cu4 54.4(15) 3_665 . ?
 C1A Cu6 Cu4 50.4(13) . . ?
 C1A Cu6 Cu4A 119.2(12) 3_665 2_655 ?
 C1A Cu6 Cu4A 27.0(14) 3_665 3_665 ?
 C1A Cu6 Cu4A 78.0(15) 3_665 . ?
 C1A Cu6 Cu4A 77.9(15) 2_655 3_665 ?
 C1A Cu6 Cu4A 119.2(12) 2_655 . ?
 C1A Cu6 Cu4A 27.0(13) . . ?
 C1A Cu6 Cu4A 77.9(15) . 2_655 ?
 C1A Cu6 Cu4A 27.0(13) 2_655 2_655 ?
 C1A Cu6 Cu4A 119.2(12) . 3_665 ?
 C1A Cu6 C1 77.4(13) 3_665 2_655 ?
 C1A Cu6 C1 122.5(16) 3_665 . ?
 C1A Cu6 C1 122.5(16) 2_655 3_665 ?
 C1A Cu6 C1 29.2(14) 2_655 2_655 ?
 C1A Cu6 C1 77.4(13) 2_655 . ?
 C1A Cu6 C1 122.5(16) . 2_655 ?
 C1A Cu6 C1 77.4(13) . 3_665 ?
 C1A Cu6 C1 29.2(14) 3_665 3_665 ?
 C1A Cu6 C1 29.2(14) . . ?
 C1A Cu6 C1A 101.4(17) 3_665 2_655 ?
 C1A Cu6 C1A 101.4(17) 2_655 . ?
 C1A Cu6 C1A 101.4(17) 3_665 . ?
 Cu1 Cu7 Cu2A 39.60(10) . . ?
 Cu1 Cu7 Cu5A 109.12(12) . . ?
 Cu2A Cu7 Cu5A 69.85(10) . . ?
 Cu4A Cu7 Cu1 161.54(11) . . ?
 Cu4A Cu7 Cu2A 126.38(10) . . ?
 Cu4A Cu7 Cu5A 57.17(10) . . ?
 Cu6 Cu7 Cu1 117.49(12) . . ?
 Cu6 Cu7 Cu2A 118.78(8) . . ?
 Cu6 Cu7 Cu4A 53.47(6) . . ?
 Cu6 Cu7 Cu5A 85.71(10) . . ?
 Cu8 Cu7 Cu1 48.61(11) . . ?
 Cu8 Cu7 Cu1 72.90(10) 3_665 . ?
 Cu8 Cu7 Cu2A 50.77(7) 3_665 . ?
 Cu8 Cu7 Cu2A 72.56(7) . . ?
 Cu8 Cu7 Cu4A 88.64(8) 3_665 . ?
 Cu8 Cu7 Cu4A 122.85(8) . . ?
 Cu8 Cu7 Cu5A 53.88(9) 3_665 . ?
 Cu8 Cu7 Cu5A 116.12(10) . . ?
 Cu8 Cu7 Cu6 69.20(6) 3_665 . ?
 Cu8 Cu7 Cu6 69.95(6) . . ?
 Cu8 Cu7 Cu8 62.27(7) . 3_665 ?
 C1 Cu7 Cu1 140.5(5) . . ?
 C1 Cu7 Cu2A 170.0(3) . . ?
 C1 Cu7 Cu4A 50.2(5) . . ?
 C1 Cu7 Cu5A 107.4(5) . . ?
 C1 Cu7 Cu6 51.3(3) . . ?
 C1 Cu7 Cu8 101.1(4) . . ?
 C1 Cu7 Cu8 119.6(4) . 3_665 ?
 C1 Cu7 C1A 28.9(16) . . ?
 C1 Cu7 C17 31.5(3) . . ?
 C1A Cu7 Cu1 166.7(17) . . ?
 C1A Cu7 Cu2A 148.0(13) . . ?
 C1A Cu7 Cu4A 21.7(14) . . ?
 C1A Cu7 Cu5A 78.7(15) . . ?
 C1A Cu7 Cu6 51.1(11) . . ?
 C1A Cu7 Cu8 118.5(15) . . ?
 C1A Cu7 Cu8 105.2(5) . 3_665 ?
 C1A Cu7 C17 31.6(3) . . ?
 C10 Cu7 Cu1 82.9(6) . . ?
 C10 Cu7 Cu2A 43.6(6) . . ?
 C10 Cu7 Cu4A 85.9(6) . . ?
 C10 Cu7 Cu5A 29.6(5) . . ?
 C10 Cu7 Cu6 110.2(5) . . ?
 C10 Cu7 Cu8 54.0(4) . 3_665 ?
 C10 Cu7 Cu8 108.3(5) . . ?
 C10 Cu7 C1 135.9(7) . . ?
 C10 Cu7 C1A 107.0(17) . . ?
 C10 Cu7 C17 117.0(6) . . ?
 C12 Cu7 Cu1 32.6(5) . . ?
 C12 Cu7 Cu2A 70.2(5) . . ?
 C12 Cu7 Cu4A 163.3(5) . . ?
 C12 Cu7 Cu5A 139.5(5) . . ?
 C12 Cu7 Cu6 119.7(4) . . ?
 C12 Cu7 Cu8 56.0(4) . . ?
 C12 Cu7 Cu8 103.2(4) . 3_665 ?
 C12 Cu7 C1 113.1(7) . . ?
 C12 Cu7 C1A 141.6(15) . . ?
 C12 Cu7 C10 110.5(7) . . ?
 C12 Cu7 C17 118.2(6) . . ?
 C17 Cu7 Cu1 150.4(3) . . ?
 C17 Cu7 Cu2A 156.1(3) . . ?
 C17 Cu7 Cu4A 48.0(3) . . ?
 C17 Cu7 Cu5A 96.6(3) . . ?
 C17 Cu7 Cu6 78.0(3) . . ?
 C17 Cu7 Cu8 131.2(3) . . ?
 C17 Cu7 Cu8 136.2(3) . 3_665 ?
 Cu1 Cu8 Cu1A 20.75(17) . . ?
 Cu1 Cu8 Cu2A 106.4(2) . 2_655 ?
 Cu1 Cu8 Cu5 86.06(15) . 2_655 ?
 Cu1 Cu8 Cu5A 101.64(16) . 2_655 ?
 Cu1 Cu8 Cu7 73.35(19) . . ?
 Cu1 Cu8 Cu7 170.49(13) . 2_655 ?
 Cu1 Cu8 Cu8 131.13(13) . 2_655 ?
 Cu1 Cu8 Cu8 82.69(14) . 3_665 ?
 Cu1 Cu8 Cu9 75.41(14) . . ?
 Cu1A Cu8 Cu8 91.43(9) . 3_665 ?
 Cu1A Cu8 Cu8 123.27(7) . 2_655 ?
 Cu2A Cu8 Cu1A 86.25(12) 2_655 . ?
 Cu2A Cu8 Cu5 100.34(11) 2_655 2_655 ?
 Cu2A Cu8 Cu5A 85.63(14) 2_655 2_655 ?
 Cu2A Cu8 Cu7 170.85(9) 2_655 . ?
 Cu2A Cu8 Cu7 70.79(11) 2_655 2_655 ?
 Cu2A Cu8 Cu8 129.37(9) 2_655 3_665 ?
 Cu2A Cu8 Cu8 79.58(11) 2_655 2_655 ?
 Cu2A Cu8 Cu9 74.89(8) 2_655 . ?
 Cu5 Cu8 Cu1A 94.69(11) 2_655 . ?
 Cu5 Cu8 Cu5A 18.93(9) 2_655 2_655 ?
 Cu5 Cu8 Cu7 85.58(10) 2_655 2_655 ?
 Cu5 Cu8 Cu7 70.52(10) 2_655 . ?
 Cu5 Cu8 Cu8 130.22(11) 2_655 3_665 ?
 Cu5 Cu8 Cu8 141.74(10) 2_655 2_655 ?
 Cu5 Cu8 Cu9 158.35(10) 2_655 . ?
 Cu5A Cu8 Cu1A 105.67(13) 2_655 . ?
 Cu5A Cu8 Cu7 69.32(12) 2_655 2_655 ?
 Cu5A Cu8 Cu7 85.50(13) 2_655 . ?
 Cu5A Cu8 Cu8 142.51(12) 2_655 3_665 ?
 Cu5A Cu8 Cu8 127.23(14) 2_655 2_655 ?
 Cu5A Cu8 Cu9 158.27(13) 2_655 . ?
 Cu7 Cu8 Cu1A 94.02(10) . . ?
 Cu7 Cu8 Cu1A 156.64(10) 2_655 . ?
 Cu7 Cu8 Cu7 107.96(8) . 2_655 ?
 Cu7 Cu8 Cu8 107.68(6) . 2_655 ?
 Cu7 Cu8 Cu8 106.23(7) 2_655 3_665 ?
 Cu7 Cu8 Cu8 59.78(8) . 3_665 ?
 Cu7 Cu8 Cu8 57.94(8) 2_655 2_655 ?
 Cu7 Cu8 Cu9 113.45(7) . . ?
 Cu8 Cu8 Cu8 60.000(1) 2_655 3_665 ?
 Cu9 Cu8 Cu1A 64.17(8) . . ?
 Cu9 Cu8 Cu7 111.79(7) . 2_655 ?
 Cu9 Cu8 Cu8 59.10(3) . 3_665 ?
 Cu9 Cu8 Cu8 59.10(3) . 2_655 ?
 C10 Cu8 Cu1 121.5(4) 2_655 . ?
 C10 Cu8 Cu1A 112.5(4) 2_655 . ?
 C10 Cu8 Cu2A 51.9(5) 2_655 2_655 ?
 C10 Cu8 Cu5 55.3(5) 2_655 2_655 ?
 C10 Cu8 Cu5A 37.0(5) 2_655 2_655 ?
 C10 Cu8 Cu7 49.4(4) 2_655 2_655 ?
 C10 Cu8 Cu7 120.1(5) 2_655 . ?
 C10 Cu8 Cu8 155.6(4) 2_655 3_665 ?
 C10 Cu8 Cu8 100.6(5) 2_655 2_655 ?
 C10 Cu8 Cu9 126.4(5) 2_655 . ?
 C10 Cu8 C12 100.6(6) 2_655 . ?
 C12 Cu8 Cu1 42.8(4) . . ?
 C12 Cu8 Cu1A 59.8(4) . . ?
 C12 Cu8 Cu2A 125.3(4) . 2_655 ?
 C12 Cu8 Cu5 48.4(4) . 2_655 ?
 C12 Cu8 Cu5A 67.0(4) . 2_655 ?
 C12 Cu8 Cu7 131.1(4) . 2_655 ?
 C12 Cu8 Cu7 48.3(4) . . ?
 C12 Cu8 Cu8 154.3(4) . 2_655 ?
 C12 Cu8 Cu8 95.5(4) . 3_665 ?
 C12 Cu8 Cu9 116.9(4) . . ?
 Cu2 Cu9 Cu2 119.992(6) 3_665 . ?
 Cu3 Cu9 Cu2 66.37(17) 3_665 3_665 ?
 Cu3 Cu9 Cu2 140.94(19) . 3_665 ?
 Cu3 Cu9 Cu2 66.91(16) 2_655 3_665 ?
 Cu3 Cu9 Cu2 140.9(2) 2_655 . ?
 Cu3 Cu9 Cu2 66.90(16) 3_665 . ?
 Cu3 Cu9 Cu2 66.37(17) . . ?
 Cu3 Cu9 Cu3 85.3(2) 3_665 . ?
 Cu3 Cu9 Cu3 85.3(2) 3_665 2_655 ?
 Cu3 Cu9 Cu3 85.3(2) 2_655 . ?
 Cu3 Cu9 Cu8 153.64(14) 3_665 . ?
 Cu3 Cu9 Cu8 95.34(14) 2_655 2_655 ?
 Cu3 Cu9 Cu8 95.34(14) 3_665 3_665 ?
 Cu3 Cu9 Cu8 121.09(16) 2_655 . ?
 Cu3 Cu9 Cu8 153.63(13) . 2_655 ?
 Cu3 Cu9 Cu8 95.34(14) . . ?
 Cu3 Cu9 Cu8 153.63(13) 2_655 3_665 ?
 Cu3 Cu9 Cu8 121.09(16) 3_665 2_655 ?
 Cu3 Cu9 Cu8 121.09(16) . 3_665 ?
 Cu3A Cu9 Cu2 37.10(13) 3_665 3_665 ?
 Cu3A Cu9 Cu2 37.10(13) . . ?
 Cu3A Cu9 Cu2 112.36(13) 2_655 . ?
 Cu3A Cu9 Cu2 113.63(13) 2_655 3_665 ?
 Cu3A Cu9 Cu2 112.36(13) . 3_665 ?
 Cu3A Cu9 Cu2 113.63(13) 3_665 . ?
 Cu3A Cu9 Cu3 103.84(18) . 2_655 ?
 Cu3A Cu9 Cu3 46.00(16) 3_665 2_655 ?
 Cu3A Cu9 Cu3 46.00(16) . 3_665 ?
 Cu3A Cu9 Cu3 103.84(18) 3_665 . ?
 Cu3A Cu9 Cu3 46.73(14) 2_655 2_655 ?
 Cu3A Cu9 Cu3 46.00(15) 2_655 . ?
 Cu3A Cu9 Cu3 46.73(14) . . ?
 Cu3A Cu9 Cu3 46.73(14) 3_665 3_665 ?
 Cu3A Cu9 Cu3 103.84(18) 2_655 3_665 ?
 Cu3A Cu9 Cu3A 86.65(11) 3_665 2_655 ?
 Cu3A Cu9 Cu3A 86.65(11) 3_665 . ?
 Cu3A Cu9 Cu3A 86.65(11) 2_655 . ?
 Cu3A Cu9 Cu8 95.16(7) 3_665 2_655 ?
 Cu3A Cu9 Cu8 154.62(9) 3_665 . ?
 Cu3A Cu9 Cu8 154.62(9) . 2_655 ?
 Cu3A Cu9 Cu8 118.72(8) 2_655 2_655 ?
 Cu3A Cu9 Cu8 154.62(9) 2_655 3_665 ?
 Cu3A Cu9 Cu8 95.15(7) 2_655 . ?
 Cu3A Cu9 Cu8 95.16(8) . 3_665 ?
 Cu3A Cu9 Cu8 118.72(8) . . ?
 Cu3A Cu9 Cu8 118.72(8) 3_665 3_665 ?
 Cu8 Cu9 Cu2 122.11(13) . 3_665 ?
 Cu8 Cu9 Cu2 89.13(12) . . ?
 Cu8 Cu9 Cu2 122.12(13) 2_655 . ?
 Cu8 Cu9 Cu2 60.34(11) 2_655 3_665 ?
 Cu8 Cu9 Cu2 89.13(12) 3_665 3_665 ?
 Cu8 Cu9 Cu2 60.34(11) 3_665 . ?
 Cu8 Cu9 Cu8 61.81(7) 2_655 3_665 ?
 Cu8 Cu9 Cu8 61.81(7) . 3_665 ?
 Cu8 Cu9 Cu8 61.81(7) . 2_655 ?
 C7 Cu9 Cu2 89.49(12) . . ?
 C7 Cu9 Cu2 89.49(12) . 3_665 ?
 C7 Cu9 Cu3 51.44(15) . 2_655 ?
 C7 Cu9 Cu3 51.45(15) . . ?
 C7 Cu9 Cu3 51.44(15) . 3_665 ?
 C7 Cu9 Cu3A 52.40(8) . 3_665 ?
 C7 Cu9 Cu3A 52.40(8) . 2_655 ?
 C7 Cu9 Cu3A 52.39(8) . . ?
 C7 Cu9 Cu8 143.62(4) . . ?
 C7 Cu9 Cu8 143.62(4) . 3_665 ?
 C7 Cu9 Cu8 143.62(4) . 2_655 ?
 Cu3A O1 Cu3 53.2(3) 2_655 . ?
 C9 O1 Cu3 107.0(15) . . ?
 C9 O1 Cu3A 126.2(12) . 2_655 ?
 Cu4A O2 Cu4 29.0(2) . . ?
 C20 O2 Cu4 117.7(14) . . ?
 C20 O2 Cu4A 126.4(12) . . ?
 Cu5A O3 Cu5 24.44(18) . . ?
 C20 O3 Cu5 125.7(12) . . ?
 C20 O3 Cu5A 117.5(13) . . ?
 C9 O4 Cu1A 124.2(12) . . ?
 Cu4 C1 Cu4A 142.0(12) 2_655 . ?
 Cu4 C1 Cu4A 21.1(4) 2_655 2_655 ?
 Cu4 C1 Cu6 93.6(7) 2_655 . ?
 Cu4 C1 Cu7 130.4(11) 2_655 . ?
 Cu4 C1 C17 125.6(14) 2_655 . ?
 Cu4A C1 Cu4A 129.9(7) 2_655 . ?
 Cu4A C1 Cu6 72.6(4) 2_655 . ?
 Cu4A C1 Cu7 121.2(6) 2_655 . ?
 Cu6 C1 Cu4A 69.5(5) . . ?
 Cu6 C1 Cu7 77.0(5) . . ?
 Cu7 C1 Cu4A 80.3(6) . . ?
 C1A C1 Cu4 149(3) . 2_655 ?
 C1A C1 Cu4A 138(2) . 2_655 ?
 C1A C1 Cu4A 8(2) . . ?
 C1A C1 Cu6 75.2(18) . . ?
 C1A C1 Cu7 76(3) . . ?
 C1A C1 C17 64.7(16) . . ?
 C17 C1 Cu4A 71.4(9) . . ?
 C17 C1 Cu4A 146.3(13) . 2_655 ?
 C17 C1 Cu6 138.9(13) . . ?
 C17 C1 Cu7 84.6(10) . . ?
 Cu4 C1A Cu4 130(2) . 2_655 ?
 Cu4 C1A Cu6 71(2) 2_655 . ?
 Cu4 C1A Cu6 73.9(6) . . ?
 Cu4 C1A Cu7 116(2) . . ?
 Cu4 C1A Cu7 89(2) 2_655 . ?
 Cu4A C1A Cu4 150(4) . 2_655 ?
 Cu4A C1A Cu4 21.2(8) . . ?
 Cu4A C1A Cu6 92.8(10) . . ?
 Cu4A C1A Cu7 113(3) . . ?
 Cu4A C1A C17 128(5) . . ?
 Cu6 C1A Cu7 76.8(16) . . ?
 C1 C1A Cu4 16.0(18) . 2_655 ?
 C1 C1A Cu4 144(4) . . ?
 C1 C1A Cu4A 165(5) . . ?
 C1 C1A Cu6 76(3) . . ?
 C1 C1A Cu7 75(3) . . ?
 C1 C1A C17 64.4(17) . . ?
 C17 C1A Cu4 73(3) . 2_655 ?
 C17 C1A Cu4 147(4) . . ?
 C17 C1A Cu6 139(4) . . ?
 C17 C1A Cu7 84(2) . . ?
 H2A C2 H2B 109.5 . . ?
 H2A C2 H2C 109.5 . . ?
 H2B C2 H2C 109.5 . . ?
 C18 C2 H2A 109.5 . . ?
 C18 C2 H2B 109.5 . . ?
 C18 C2 H2C 109.5 . . ?
 Cu1 C3 Cu5 96.8(4) . 2_655 ?
 C5 C3 Cu1 130.0(10) . . ?
 C5 C3 Cu5 125.7(9) . 2_655 ?
 C12 C3 Cu1 47.8(10) . . ?
 C12 C3 Cu5 61.7(10) . 2_655 ?
 C12 C3 C5 171.2(16) . . ?
 Cu2A C4 Cu5A 100.3(5) . . ?
 C10 C4 Cu2A 66.6(12) . . ?
 C10 C4 Cu5A 41.6(11) . . ?
 C10 C4 C11 167.0(19) . . ?
 C11 C4 Cu2A 123.1(12) . . ?
 C11 C4 Cu5A 125.4(10) . . ?
 C3 C5 C15 110.9(11) . . ?
 C3 C5 C21 107.8(9) . . ?
 C19 C5 C3 105.1(10) . . ?
 C19 C5 C15 115.1(12) . . ?
 C19 C5 C21 114.5(12) . . ?
 C21 C5 C15 103.4(12) . . ?
 C7 C6 C22 180.0 . . ?
 Cu3 C7 Cu3 115.8(4) 3_665 . ?
 Cu3 C7 Cu3 115.8(4) 2_655 . ?
 Cu3 C7 Cu3 115.8(4) 3_665 2_655 ?
 Cu3 C7 Cu3A 155.1(10) 2_655 . ?
 Cu3 C7 Cu3A 58.0(2) 2_655 3_665 ?
 Cu3 C7 Cu3A 155.1(10) 3_665 2_655 ?
 Cu3 C7 Cu3A 58.9(2) . . ?
 Cu3 C7 Cu3A 58.9(2) 2_655 2_655 ?
 Cu3 C7 Cu3A 58.0(2) . 2_655 ?
 Cu3 C7 Cu3A 155.1(10) . 3_665 ?
 Cu3 C7 Cu3A 58.0(2) 3_665 . ?
 Cu3 C7 Cu3A 58.9(2) 3_665 3_665 ?
 Cu3A C7 Cu3A 115.1(4) 3_665 2_655 ?
 Cu3A C7 Cu3A 115.1(4) . 2_655 ?
 Cu3A C7 Cu3A 115.1(4) 3_665 . ?
 Cu9 C7 Cu3 78.1(5) . 3_665 ?
 Cu9 C7 Cu3 78.1(5) . 2_655 ?
 Cu9 C7 Cu3 78.1(5) . . ?
 Cu9 C7 Cu3A 77.0(5) . . ?
 Cu9 C7 Cu3A 77.0(5) . 3_665 ?
 Cu9 C7 Cu3A 77.0(5) . 2_655 ?
 C6 C7 Cu3 101.9(5) . 2_655 ?
 C6 C7 Cu3 101.9(5) . . ?
 C6 C7 Cu3 101.9(5) . 3_665 ?
 C6 C7 Cu3A 103.0(5) . . ?
 C6 C7 Cu3A 103.0(5) . 2_655 ?
 C6 C7 Cu3A 103.0(5) . 3_665 ?
 C6 C7 Cu9 180.0 . . ?
 Cu1 C8 Cu3 74.5(6) . . ?
 Cu1 C8 Cu3A 100.4(5) . . ?
 Cu1A C8 Cu1 27.2(3) . . ?
 Cu1A C8 Cu2A 78.5(5) . . ?
 Cu1A C8 Cu3 49.9(5) . . ?
 Cu1A C8 Cu3A 90.7(6) . . ?
 Cu2 C8 Cu1 79.3(5) . . ?
 Cu2 C8 Cu1A 92.0(6) . . ?
 Cu2 C8 Cu2A 30.5(3) . . ?
 Cu2 C8 Cu3 90.7(6) . . ?
 Cu2 C8 Cu3A 50.0(4) . . ?
 Cu2A C8 Cu1 56.8(4) . . ?
 Cu2A C8 Cu3 102.1(5) . . ?
 Cu2A C8 Cu3A 77.9(5) . . ?
 Cu3A C8 Cu3 54.3(4) . . ?
 C30 C8 Cu1 149.9(19) . . ?
 C30 C8 Cu1A 132(2) . . ?
 C30 C8 Cu2 131(2) . . ?
 C30 C8 Cu2A 149(2) . . ?
 C30 C8 Cu3 102.2(19) . . ?
 C30 C8 Cu3A 101.4(14) . . ?
 O1 C9 O4 114.3(16) . . ?
 O1 C9 C32 118.1(13) . . ?
 O4 C9 C32 115.3(12) . . ?
 Cu2A C10 Cu5 127.1(8) . . ?
 Cu2A C10 Cu7 91.6(7) . . ?
 Cu2A C10 Cu8 69.3(5) . 3_665 ?
 Cu5A C10 Cu2A 141.6(11) . . ?
 Cu5A C10 Cu5 15.3(3) . . ?
 Cu5A C10 Cu7 109.1(9) . . ?
 Cu5A C10 Cu8 84.1(7) . 3_665 ?
 Cu7 C10 Cu5 110.5(7) . . ?
 Cu7 C10 Cu8 76.6(4) . 3_665 ?
 Cu8 C10 Cu5 70.3(5) 3_665 . ?
 C4 C10 Cu2A 80.8(14) . . ?
 C4 C10 Cu5 114.5(13) . . ?
 C4 C10 Cu5A 107.8(14) . . ?
 C4 C10 Cu7 128.4(14) . . ?
 C4 C10 Cu8 142.2(16) . 3_665 ?
 C4 C11 C31 111.1(11) . . ?
 C27 C11 C4 107.2(10) . . ?
 C27 C11 C28 120.3(13) . . ?
 C27 C11 C31 104.5(13) . . ?
 C28 C11 C4 109.3(11) . . ?
 C28 C11 C31 104.3(13) . . ?
 Cu1 C12 Cu1A 14.6(3) . . ?
 Cu1 C12 Cu5 131.5(9) . 2_655 ?
 Cu1 C12 Cu7 106.4(7) . . ?
 Cu1 C12 Cu8 71.0(5) . . ?
 Cu5 C12 Cu1A 119.2(7) 2_655 . ?
 Cu5 C12 Cu7 96.5(6) 2_655 . ?
 Cu5 C12 Cu8 74.4(5) 2_655 . ?
 Cu7 C12 Cu1A 118.9(6) . . ?
 Cu7 C12 Cu8 75.6(4) . . ?
 Cu8 C12 Cu1A 69.6(4) . . ?
 C3 C12 Cu1 101.0(13) . . ?
 C3 C12 Cu1A 93.8(12) . . ?
 C3 C12 Cu5 87.5(12) . 2_655 ?
 C3 C12 Cu7 138.7(14) . . ?
 C3 C12 Cu8 143.7(14) . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.4 . . ?
 C25 C13 H13A 109.4 . . ?
 C25 C13 H13B 109.6 . . ?
 C25 C13 H13C 109.4 . . ?
 F1 C14 F3 96.3(18) . . ?
 F1 C14 C20 115(2) . . ?
 F2 C14 F1 104(2) . . ?
 F2 C14 F3 106(2) . . ?
 F2 C14 C20 122(2) . . ?
 F3 C14 C20 110.9(19) . . ?
 C5 C15 H15A 109.5 . . ?
 C5 C15 H15B 109.5 . . ?
 C5 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 C18 C16 H16A 109.5 . . ?
 C18 C16 H16B 109.5 . . ?
 C18 C16 H16C 109.5 . . ?
 Cu4 C17 Cu4A 95.3(4) 2_655 . ?
 Cu4 C17 Cu7 83.6(4) 2_655 . ?
 Cu4A C17 Cu7 75.9(4) . . ?
 C1 C17 Cu4 25.8(8) . 2_655 ?
 C1 C17 Cu4A 74.8(9) . . ?
 C1 C17 Cu7 63.8(9) . . ?
 C1 C17 C1A 51(3) . . ?
 C1 C17 C18 155.2(15) . . ?
 C1A C17 Cu4 73(3) . 2_655 ?
 C1A C17 Cu4A 24(3) . . ?
 C1A C17 Cu7 64(2) . . ?
 C1A C17 C18 152(3) . . ?
 C18 C17 Cu4 130.2(11) . 2_655 ?
 C18 C17 Cu4A 128.2(10) . . ?
 C18 C17 Cu7 125.4(9) . . ?
 C16 C18 C2 112.0(14) . . ?
 C17 C18 C2 106.6(12) . . ?
 C17 C18 C16 106.5(13) . . ?
 C17 C18 C24 109.0(12) . . ?
 C24 C18 C2 113.2(15) . . ?
 C24 C18 C16 109.3(14) . . ?
 C5 C19 H19A 109.5 . . ?
 C5 C19 H19B 109.5 . . ?
 C5 C19 H19C 109.5 . . ?
 H19A C19 H19B 109.5 . . ?
 H19A C19 H19C 109.5 . . ?
 H19B C19 H19C 109.5 . . ?
 O2 C20 O3 131.2(16) . . ?
 O2 C20 C14 116.3(19) . . ?
 O3 C20 C14 112.6(19) . . ?
 C5 C21 H21A 109.5 . . ?
 C5 C21 H21B 109.5 . . ?
 C5 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 C6 C22 C23 110.3(9) . . ?
 C6 C22 C23 110.3(9) . 2_655 ?
 C6 C22 C23 110.3(9) . 3_665 ?
 C23 C22 C23 108.6(10) 3_665 . ?
 C23 C22 C23 108.6(10) 2_655 3_665 ?
 C23 C22 C23 108.6(10) 2_655 . ?
 C22 C23 H23A 109.5 . . ?
 C22 C23 H23B 109.5 . . ?
 C22 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C18 C24 H24A 109.5 . . ?
 C18 C24 H24B 109.5 . . ?
 C18 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C13 C25 C26 103.2(7) . . ?
 C13 C25 C29 103.6(7) . . ?
 C13 C25 C30 113.3(15) . . ?
 C26 C25 C29 101.7(6) . . ?
 C26 C25 C30 115.4(12) . . ?
 C29 C25 C30 117.7(13) . . ?
 C25 C26 H26A 109.5 . . ?
 C25 C26 H26B 109.5 . . ?
 C25 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C11 C27 H27A 109.5 . . ?
 C11 C27 H27B 109.5 . . ?
 C11 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?
 C11 C28 H28A 109.5 . . ?
 C11 C28 H28B 109.5 . . ?
 C11 C28 H28C 109.5 . . ?
 H28A C28 H28B 109.5 . . ?
 H28A C28 H28C 109.5 . . ?
 H28B C28 H28C 109.5 . . ?
 C25 C29 H29A 109.5 . . ?
 C25 C29 H29B 109.5 . . ?
 C25 C29 H29C 109.5 . . ?
 H29A C29 H29B 109.5 . . ?
 H29A C29 H29C 109.5 . . ?
 H29B C29 H29C 109.5 . . ?
 C8 C30 C25 176.7(19) . . ?
 C11 C31 H31A 109.5 . . ?
 C11 C31 H31B 109.5 . . ?
 C11 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 F4 C32 C9 109.4(8) . . ?
 F5 C32 F4 109.8(8) . . ?
 F5 C32 F6 110.5(8) . . ?
 F5 C32 C9 110.3(8) . . ?
 F6 C32 F4 107.5(8) . . ?
 F6 C32 C9 109.4(8) . . ?
 C33 Cl1 C33 42(4) 2_655 . ?
 C33 Cl2 C33 40(4) . 2_655 ?
 C33 Cl2 C33 40(4) . 3_665 ?
 C33 Cl2 C33 40(4) 3_665 2_655 ?
 Cl1 C33 Cl1 118.0(14) 3_665 . ?
 Cl1 C33 Cl2 124.2(14) 3_665 . ?
 Cl1 C33 Cl2 115.7(11) . . ?
 C33 C33 Cl1 62.4(16) 2_655 . ?
 C33 C33 Cl1 114.2(17) 3_665 . ?
 C33 C33 Cl1 76(4) 3_665 3_665 ?
 C33 C33 Cl1 125(4) 2_655 3_665 ?
 C33 C33 Cl2 69.9(19) 2_655 . ?
 C33 C33 Cl2 70(2) 3_665 . ?
 C33 C33 C33 60.000(13) 3_665 2_655 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.662
_oxdiff_exptl_absorpt_empirical_full_min 0.684
# start Validation Reply Form
_vrf_PLAT308_SD/Cu23b
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PROBLEM: Single Bonded Metal Atom in Structure  (Unusual)        Cu9 Check 
RESPONSE: We rechecked the coordination enviroment of Cu9. 
There is a tert-Butylacetylene coordinating to this atom.
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# end Validation Reply Form