data_cg004s
_audit_creation_date               2018-12-01
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number       '2014/7'
_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. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety          
 'C25 H35 Dy N2, C20.17 H27.75 Dy N2, 0.48(C10 H15), C24 H20 B, C7 H8'
_chemical_formula_sum              'C81 H98 B Dy2 N4'
_chemical_formula_weight           1463.44
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016
 'ANOMDisVal Program in PLATON Spek, A. L. J. Appl. Crystallogr. 2003, 36, 7-13'
 'H' 'H' 0.0000 0.0000
 'ANOMDisVal Program in PLATON Spek, A. L. J. Appl. Crystallogr. 2003, 36, 7-13'
 'B' 'B' 0.0013 0.0007
 'ANOMDisVal Program in PLATON Spek, A. L. J. Appl. Crystallogr. 2003, 36, 7-13'
 'Dy' 'Dy' -0.1620 5.1230
 'ANOMDisVal Program in PLATON Spek, A. L. J. Appl. Crystallogr. 2003, 36, 7-13'
 'N' 'N' 0.0061 0.0033
 'ANOMDisVal Program in PLATON Spek, A. L. J. Appl. Crystallogr. 2003, 36, 7-13'

_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        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     12.2665(7)
_cell_length_b                     12.8149(8)
_cell_length_c                     22.0900(13)
_cell_angle_alpha                  84.427(3)
_cell_angle_beta                   83.779(4)
_cell_angle_gamma                  85.473(4)
_cell_volume                       3427.4(4)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9812
_cell_measurement_temperature      100(2)
_cell_measurement_theta_max        33.73
_cell_measurement_theta_min        2.44
_shelx_estimated_absorpt_T_max     0.908
_shelx_estimated_absorpt_T_min     0.829
_exptl_absorpt_coefficient_mu      2.748
_exptl_absorpt_correction_T_max    0.908
_exptl_absorpt_correction_T_min    0.783
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1047 before and 0.0473 after correction.
 The Ratio of minimum to maximum transmission is 0.85.
 The λ/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.1626 before and 0.0588 after correction.
 The Ratio of minimum to maximum transmission is 0.85.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 106208 reflections, Rint = 0.0710
 (47322 with I > 3sig(I), Rint = 0.0471)
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'red'
_exptl_crystal_density_diffrn      1.418
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      'not measured'
_exptl_crystal_description         'plate'
_exptl_crystal_F_000               1498
_exptl_crystal_size_max            0.071
_exptl_crystal_size_mid            0.054
_exptl_crystal_size_min            0.036
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1733
_diffrn_reflns_av_unetI/netI       0.0726
_diffrn_reflns_Laue_measured_fraction_full  0.996
_diffrn_reflns_Laue_measured_fraction_max  0.996
_diffrn_reflns_limit_h_max         14
_diffrn_reflns_limit_h_min         -14
_diffrn_reflns_limit_k_max         15
_diffrn_reflns_limit_k_min         -15
_diffrn_reflns_limit_l_max         26
_diffrn_reflns_limit_l_min         0
_diffrn_reflns_number              14858
_diffrn_reflns_point_group_measured_fraction_full  0.996
_diffrn_reflns_point_group_measured_fraction_max  0.996
_diffrn_reflns_theta_full          27.706
_diffrn_reflns_theta_max           27.827
_diffrn_reflns_theta_min           2.096
_diffrn_ambient_temperature        100(2)
_diffrn_detector_area_resol_mean   7.39
_diffrn_measured_fraction_theta_full  0.996
_diffrn_measured_fraction_theta_max  0.996
_diffrn_measurement_device_type    'Bruker D8 with PHOTON II detector'
_diffrn_measurement_method         'φ and ω shutterless scans'
_diffrn_radiation_monochromator    'silicon 111'
_diffrn_radiation_type             synchrotron
_diffrn_radiation_wavelength       0.7749
_diffrn_source
;
Advanced Light Source station 11.3.1
;
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  9625
_reflns_number_total               12511
_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         'SAINT V8.38A (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      'XT (Sheldrick, 2015)'
_refine_diff_density_max           2.762
_refine_diff_density_min           -1.500
_refine_diff_density_rms           0.157
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.099
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1032
_refine_ls_number_reflns           12511
_refine_ls_number_restraints       450
_refine_ls_R_factor_all            0.0978
_refine_ls_R_factor_gt             0.0621
_refine_ls_restrained_S_all        1.082
_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)+(0.0641P)²+22.9628P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1368
_refine_ls_wR_factor_ref           0.1497
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C46A) = Uanis(C46) = Uanis(C41) = Uanis(C41A) = Uanis(C40A) = Uanis(C45A)
= Uanis(C40) = Uanis(C45)
3. Rigid body (RIGU) restrains
 C28, C29, C30, C31, C32, C33, C34, C35, C36, C37, C28A, C29A, C30A, C31A,
 C32A, C33A, C34A, C35A, C36A, C37A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C38, C39, C40, C41, C42, C43, C44, C45, C46, C47, C38A, C39A, C40A, C41A,
 C42A, C43A, C44A, C45A, C46A, C47A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C18A, C19A, C20A, C21A,
 C22A, C23A, C24A, C25A, C26A, C27A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C18A)=Sof(C19A)=Sof(C20A)=Sof(C21A)=Sof(C22A)=Sof(C23A)=Sof(H23D)=
 Sof(H23E)=Sof(H23F)=Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25A)=
 Sof(H25D)=Sof(H25E)=Sof(H25F)=Sof(C26A)=Sof(H26D)=Sof(H26E)=Sof(H26F)=
 Sof(C27A)=Sof(H27D)=Sof(H27E)=Sof(H27F)=1-FVAR(1)
 Sof(C18)=Sof(C19)=Sof(C20)=Sof(C21)=Sof(C22)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=Sof(H25B)=
 Sof(H25C)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=Sof(C27)=Sof(H27A)=Sof(H27B)=
 Sof(H27C)=FVAR(1)
 Sof(C28A)=Sof(C29A)=Sof(C30A)=Sof(C31A)=Sof(C32A)=Sof(C33A)=Sof(H33A)=
 Sof(H33B)=Sof(H33C)=Sof(C34A)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C35A)=
 Sof(H35A)=Sof(H35B)=Sof(H35C)=Sof(C36A)=Sof(H36A)=Sof(H36B)=Sof(H36C)=
 Sof(C37A)=Sof(H37A)=Sof(H37B)=Sof(H37C)=1-FVAR(2)
 Sof(C28)=Sof(C29)=Sof(C30)=Sof(C31)=Sof(C32)=Sof(C33)=Sof(H33D)=Sof(H33E)=
 Sof(H33F)=Sof(C34)=Sof(H34D)=Sof(H34E)=Sof(H34F)=Sof(C35)=Sof(H35D)=Sof(H35E)=
 Sof(H35F)=Sof(C36)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(C37)=Sof(H37D)=Sof(H37E)=
 Sof(H37F)=FVAR(2)
 Sof(C38A)=Sof(C39A)=Sof(C40A)=Sof(C41A)=Sof(C42A)=Sof(C43A)=Sof(H43D)=
 Sof(H43E)=Sof(H43F)=Sof(C44A)=Sof(H44D)=Sof(H44E)=Sof(H44F)=Sof(C45A)=
 Sof(H45D)=Sof(H45E)=Sof(H45F)=Sof(C46A)=Sof(H46D)=Sof(H46E)=Sof(H46F)=
 Sof(C47A)=Sof(H47D)=Sof(H47E)=Sof(H47F)=1-FVAR(3)
 Sof(C38)=Sof(C39)=Sof(C40)=Sof(C41)=Sof(C42)=Sof(C43)=Sof(H43A)=Sof(H43B)=
 Sof(H43C)=Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=Sof(C45)=Sof(H45A)=Sof(H45B)=
 Sof(H45C)=Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(H46C)=Sof(C47)=Sof(H47A)=Sof(H47B)=
 Sof(H47C)=FVAR(3)
5.a Me refined with riding coordinates:
 C33(H33D,H33E,H33F), C34(H34D,H34E,H34F), C35(H35D,H35E,H35F), C36(H36D,H36E,
 H36F), C37(H37D,H37E,H37F), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,
 H45B,H45C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C33A(H33A,H33B,H33C),
 C34A(H34A,H34B,H34C), C35A(H35A,H35B,H35C), C36A(H36A,H36B,H36C), C37A(H37A,
 H37B,H37C), C43A(H43D,H43E,H43F), C44A(H44D,H44E,H44F), C45A(H45D,H45E,H45F),
 C46A(H46D,H46E,H46F), C47A(H47D,H47E,H47F), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C),
 C23A(H23D,H23E,H23F), C24A(H24D,H24E,H24F), C25A(H25D,H25E,H25F), C26A(H26D,
 H26E,H26F), C27A(H27D,H27E,H27F)
5.b Aromatic/amide H refined with riding coordinates:
 C4A(H4A), C6A(H6A), C2B(H2B), C2S(H2S), C3B(H3B), C3S(H3S), C4(H4), C4B(H4B),
 C4S(H4S), C5B(H5B), C5S(H5S), C6(H6), C6B(H6B), C6S(H6S), C8B(H8B), C9B(H9B),
 C10B(H10B), C11B(H11B), C12B(H12B), C14B(H14D), C15B(H15D), C16B(H16D),
 C17B(H17D), C18B(H18B), C20B(H20B), C21B(H21B), C22B(H22B), C23B(H23G),
 C24B(H24G)
5.c Idealised Me refined as rotating group:
 C7A(H7AA,H7AB,H7AC), C7(H7A,H7B,H7C), C7S(H7SA,H7SB,H7SC), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,
 H17B,H17C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_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
 Dy1 Dy 0.82291(3) 0.32742(3) 0.50461(2) 0.02753(12) Uani 1 1 d . . . . .
 Dy1B Dy -0.09702(3) 0.79313(3) 0.07125(2) 0.02767(12) Uani 1 1 d . . . . .
 N1B N -0.1323(5) 0.9446(5) -0.0002(3) 0.0269(14) Uani 1 1 d . . . . .
 N3B N -0.0543(5) 1.0949(5) -0.0584(3) 0.0287(14) Uani 1 1 d . . . . .
 C2B C -0.0479(6) 1.0100(6) -0.0149(3) 0.0251(16) Uani 1 1 d . . . . .
 C4B C -0.1450(6) 1.1081(6) -0.0875(3) 0.0299(17) Uani 1 1 d . . . . .
 H4A H -0.1505 1.1658 -0.1177 0.036 Uiso 1 1 calc R . . . .
 C5B C -0.2318(6) 1.0437(6) -0.0766(3) 0.0260(16) Uani 1 1 d . . . . .
 C6B C -0.2203(6) 0.9625(6) -0.0312(3) 0.0316(18) Uani 1 1 d . . . . .
 H6A H -0.2784 0.9168 -0.0216 0.038 Uiso 1 1 calc R . . . .
 C7B C -0.3301(6) 1.0584(7) -0.1126(4) 0.0366(19) Uani 1 1 d . . . . .
 H7AA H -0.3322 1.1285 -0.1347 0.055 Uiso 1 1 calc GR . . . .
 H7AB H -0.3973 1.0512 -0.0846 0.055 Uiso 1 1 calc GR . . . .
 H7AC H -0.3246 1.0050 -0.1418 0.055 Uiso 1 1 calc GR . . . .
 C28 C -0.0379(17) 0.712(2) -0.0388(12) 0.023(4) Uani 0.483(9) 1 d . U P A 1
 C29 C -0.1362(13) 0.6645(14) -0.0163(8) 0.021(3) Uani 0.483(9) 1 d . U P A 1
 C30 C -0.1175(14) 0.5962(14) 0.0355(8) 0.021(3) Uani 0.483(9) 1 d . U P A 1
 C31 C -0.0075(18) 0.6021(13) 0.0449(8) 0.021(3) Uani 0.483(9) 1 d . U P A 1
 C32 C 0.0416(16) 0.6723(17) 0.0007(11) 0.031(4) Uani 0.483(9) 1 d . U P A 1
 C33 C -0.0208(17) 0.7825(13) -0.0982(7) 0.037(4) Uani 0.483(9) 1 d . U P A 1
 H33D H -0.0910 0.7971 -0.1159 0.055 Uiso 0.483(9) 1 calc R . P A 1
 H33E H 0.0070 0.8486 -0.0898 0.055 Uiso 0.483(9) 1 calc R . P A 1
 H33F H 0.0325 0.7471 -0.1272 0.055 Uiso 0.483(9) 1 calc R . P A 1
 C34 C -0.2441(13) 0.6792(15) -0.0470(8) 0.039(4) Uani 0.483(9) 1 d . U P A 1
 H34D H -0.2361 0.7314 -0.0824 0.059 Uiso 0.483(9) 1 calc R . P A 1
 H34E H -0.2606 0.6121 -0.0605 0.059 Uiso 0.483(9) 1 calc R . P A 1
 H34F H -0.3042 0.7035 -0.0177 0.059 Uiso 0.483(9) 1 calc R . P A 1
 C35 C -0.1974(14) 0.5192(14) 0.0659(8) 0.038(4) Uani 0.483(9) 1 d . U P A 1
 H35D H -0.2687 0.5351 0.0497 0.058 Uiso 0.483(9) 1 calc R . P A 1
 H35E H -0.1695 0.4477 0.0576 0.058 Uiso 0.483(9) 1 calc R . P A 1
 H35F H -0.2060 0.5248 0.1101 0.058 Uiso 0.483(9) 1 calc R . P A 1
 C36 C 0.0504(13) 0.5366(11) 0.0943(7) 0.027(3) Uani 0.483(9) 1 d . U P A 1
 H36D H -0.0023 0.4933 0.1198 0.041 Uiso 0.483(9) 1 calc R . P A 1
 H36E H 0.1097 0.4910 0.0753 0.041 Uiso 0.483(9) 1 calc R . P A 1
 H36F H 0.0813 0.5831 0.1197 0.041 Uiso 0.483(9) 1 calc R . P A 1
 C37 C 0.1628(13) 0.6934(14) -0.0112(9) 0.039(4) Uani 0.483(9) 1 d . U P A 1
 H37D H 0.1733 0.7473 -0.0456 0.059 Uiso 0.483(9) 1 calc R . P A 1
 H37E H 0.1873 0.7180 0.0254 0.059 Uiso 0.483(9) 1 calc R . P A 1
 H37F H 0.2060 0.6285 -0.0211 0.059 Uiso 0.483(9) 1 calc R . P A 1
 C38 C -0.2793(14) 0.8445(19) 0.1384(7) 0.029(3) Uani 0.515(8) 1 d . U P A 1
 C39 C -0.2375(17) 0.7501(17) 0.1676(9) 0.031(3) Uani 0.515(8) 1 d . U P A 1
 C40 C -0.1412(15) 0.7694(17) 0.1936(10) 0.0324(12) Uani 0.515(8) 1 d . U P A
 1
 C41 C -0.129(3) 0.883(3) 0.1803(10) 0.0324(12) Uani 0.515(8) 1 d . U P A 1
 C42 C -0.2130(15) 0.9244(16) 0.1476(8) 0.028(3) Uani 0.515(8) 1 d . U P A 1
 C43 C -0.3836(13) 0.8539(15) 0.1072(8) 0.042(4) Uani 0.515(8) 1 d . U P A 1
 H43A H -0.4115 0.7842 0.1078 0.063 Uiso 0.515(8) 1 calc R . P A 1
 H43B H -0.4387 0.9002 0.1288 0.063 Uiso 0.515(8) 1 calc R . P A 1
 H43C H -0.3682 0.8833 0.0648 0.063 Uiso 0.515(8) 1 calc R . P A 1
 C44 C -0.2953(15) 0.6467(14) 0.1794(8) 0.047(4) Uani 0.515(8) 1 d . U P A 1
 H44A H -0.2480 0.5931 0.2006 0.070 Uiso 0.515(8) 1 calc R . P A 1
 H44B H -0.3650 0.6582 0.2048 0.070 Uiso 0.515(8) 1 calc R . P A 1
 H44C H -0.3096 0.6230 0.1404 0.070 Uiso 0.515(8) 1 calc R . P A 1
 C45 C -0.0720(13) 0.6995(12) 0.2346(7) 0.0324(12) Uani 0.515(8) 1 d . U P A 1
 H45A H -0.0108 0.7378 0.2442 0.049 Uiso 0.515(8) 1 calc R . P A 1
 H45B H -0.1167 0.6777 0.2725 0.049 Uiso 0.515(8) 1 calc R . P A 1
 H45C H -0.0429 0.6373 0.2140 0.049 Uiso 0.515(8) 1 calc R . P A 1
 C46 C -0.0458(13) 0.9431(13) 0.2069(7) 0.0324(12) Uani 0.515(8) 1 d . U P A 1
 H46A H 0.0053 0.8935 0.2281 0.049 Uiso 0.515(8) 1 calc R . P A 1
 H46B H -0.0048 0.9849 0.1738 0.049 Uiso 0.515(8) 1 calc R . P A 1
 H46C H -0.0847 0.9899 0.2359 0.049 Uiso 0.515(8) 1 calc R . P A 1
 C47 C -0.2382(15) 1.0400(13) 0.1280(7) 0.039(4) Uani 0.515(8) 1 d . U P A 1
 H47A H -0.3029 1.0480 0.1051 0.058 Uiso 0.515(8) 1 calc R . P A 1
 H47B H -0.2528 1.0793 0.1643 0.058 Uiso 0.515(8) 1 calc R . P A 1
 H47C H -0.1751 1.0674 0.1020 0.058 Uiso 0.515(8) 1 calc R . P A 1
 C28A C -0.0658(17) 0.714(2) -0.0309(11) 0.025(4) Uani 0.517(9) 1 d . U P A 2
 C29A C -0.1309(13) 0.6452(15) 0.0113(10) 0.026(3) Uani 0.517(9) 1 d . U P A
 2
 C30A C -0.0606(17) 0.6007(12) 0.0563(7) 0.025(3) Uani 0.517(9) 1 d . U P A 2
 C31A C 0.0411(12) 0.6417(13) 0.0430(7) 0.022(3) Uani 0.517(9) 1 d . U P A 2
 C32A C 0.0426(14) 0.7095(15) -0.0116(8) 0.024(3) Uani 0.517(9) 1 d . U P A 2
 C33A C -0.0953(16) 0.7683(13) -0.0913(7) 0.036(4) Uani 0.517(9) 1 d . U P A
 2
 H33A H -0.1733 0.7619 -0.0949 0.055 Uiso 0.517(9) 1 calc R . P A 2
 H33B H -0.0809 0.8428 -0.0934 0.055 Uiso 0.517(9) 1 calc R . P A 2
 H33C H -0.0507 0.7353 -0.1247 0.055 Uiso 0.517(9) 1 calc R . P A 2
 C34A C -0.2445(12) 0.6205(13) 0.0031(8) 0.039(4) Uani 0.517(9) 1 d . U P A 2
 H34A H -0.2703 0.6647 -0.0320 0.058 Uiso 0.517(9) 1 calc R . P A 2
 H34B H -0.2448 0.5463 -0.0042 0.058 Uiso 0.517(9) 1 calc R . P A 2
 H34C H -0.2933 0.6343 0.0400 0.058 Uiso 0.517(9) 1 calc R . P A 2
 C35A C -0.0865(13) 0.5131(12) 0.1030(7) 0.037(4) Uani 0.517(9) 1 d . U P A 2
 H35A H -0.1640 0.4988 0.1036 0.056 Uiso 0.517(9) 1 calc R . P A 2
 H35B H -0.0399 0.4501 0.0932 0.056 Uiso 0.517(9) 1 calc R . P A 2
 H35C H -0.0729 0.5323 0.1433 0.056 Uiso 0.517(9) 1 calc R . P A 2
 C36A C 0.1386(12) 0.6097(13) 0.0790(7) 0.034(4) Uani 0.517(9) 1 d . U P A 2
 H36A H 0.2015 0.6490 0.0612 0.051 Uiso 0.517(9) 1 calc R . P A 2
 H36B H 0.1197 0.6251 0.1216 0.051 Uiso 0.517(9) 1 calc R . P A 2
 H36C H 0.1578 0.5342 0.0774 0.051 Uiso 0.517(9) 1 calc R . P A 2
 C37A C 0.1379(13) 0.7660(14) -0.0446(7) 0.037(4) Uani 0.517(9) 1 d . U P A 2
 H37A H 0.1142 0.8073 -0.0812 0.056 Uiso 0.517(9) 1 calc R . P A 2
 H37B H 0.1636 0.8129 -0.0175 0.056 Uiso 0.517(9) 1 calc R . P A 2
 H37C H 0.1978 0.7146 -0.0566 0.056 Uiso 0.517(9) 1 calc R . P A 2
 C38A C -0.2752(15) 0.7914(19) 0.1464(8) 0.027(3) Uani 0.485(8) 1 d . U P A 2
 C39A C -0.1986(16) 0.7230(14) 0.1766(7) 0.024(3) Uani 0.485(8) 1 d . U P A 2
 C40A C -0.1100(15) 0.7821(18) 0.1894(10) 0.0324(12) Uani 0.485(8) 1 d . U P A
 2
 C41A C -0.137(3) 0.886(3) 0.1702(11) 0.0324(12) Uani 0.485(8) 1 d . U P A 2
 C42A C -0.2369(18) 0.8942(17) 0.1428(9) 0.027(4) Uani 0.485(8) 1 d . U P A 2
 C43A C -0.3780(13) 0.7604(16) 0.1276(8) 0.040(4) Uani 0.485(8) 1 d . U P A 2
 H43D H -0.4170 0.8216 0.1076 0.060 Uiso 0.485(8) 1 calc R . P A 2
 H43E H -0.3616 0.7060 0.0990 0.060 Uiso 0.485(8) 1 calc R . P A 2
 H43F H -0.4242 0.7327 0.1637 0.060 Uiso 0.485(8) 1 calc R . P A 2
 C44A C -0.2126(16) 0.6103(13) 0.2043(7) 0.039(4) Uani 0.485(8) 1 d . U P A 2
 H44D H -0.1455 0.5824 0.2222 0.058 Uiso 0.485(8) 1 calc R . P A 2
 H44E H -0.2748 0.6096 0.2361 0.058 Uiso 0.485(8) 1 calc R . P A 2
 H44F H -0.2265 0.5666 0.1722 0.058 Uiso 0.485(8) 1 calc R . P A 2
 C45A C -0.0130(14) 0.7362(14) 0.2234(7) 0.0324(12) Uani 0.485(8) 1 d . U P A
 2
 H45D H -0.0161 0.6598 0.2308 0.049 Uiso 0.485(8) 1 calc R . P A 2
 H45E H 0.0559 0.7526 0.1987 0.049 Uiso 0.485(8) 1 calc R . P A 2
 H45F H -0.0162 0.7668 0.2626 0.049 Uiso 0.485(8) 1 calc R . P A 2
 C46A C -0.0738(14) 0.9798(14) 0.1813(8) 0.0324(12) Uani 0.485(8) 1 d . U P A
 2
 H46D H -0.1095 1.0446 0.1630 0.049 Uiso 0.485(8) 1 calc R . P A 2
 H46E H -0.0739 0.9839 0.2254 0.049 Uiso 0.485(8) 1 calc R . P A 2
 H46F H 0.0021 0.9709 0.1626 0.049 Uiso 0.485(8) 1 calc R . P A 2
 C47A C -0.2997(16) 0.9925(15) 0.1216(8) 0.042(4) Uani 0.485(8) 1 d . U P A 2
 H47D H -0.3657 0.9748 0.1045 0.063 Uiso 0.485(8) 1 calc R . P A 2
 H47E H -0.3212 1.0347 0.1562 0.063 Uiso 0.485(8) 1 calc R . P A 2
 H47F H -0.2537 1.0327 0.0901 0.063 Uiso 0.485(8) 1 calc R . P A 2
 N1 N 0.9063(5) 0.4456(5) 0.5630(3) 0.0284(14) Uani 1 1 d . . . . .
 N3 N 1.0295(5) 0.5847(5) 0.5571(3) 0.0287(14) Uani 1 1 d . . . . .
 C1B C 0.4993(6) 0.3041(6) 0.1216(3) 0.0282(16) Uani 1 1 d . . . . .
 C1S C 0.4651(8) 0.0697(7) 0.6980(4) 0.045(2) Uani 1 1 d . . . . .
 C2 C 0.9837(6) 0.5084(6) 0.5307(3) 0.0251(15) Uani 1 1 d . . . . .
 C0aa C 0.5295(6) 0.3833(6) 0.0748(3) 0.0286(16) Uani 1 1 d . . . . .
 H2B H 0.5313 0.4532 0.0853 0.034 Uiso 1 1 calc R . . . .
 C2S C 0.4861(8) 0.0204(7) 0.6464(4) 0.047(2) Uani 1 1 d . . . . .
 H2S H 0.5481 -0.0285 0.6422 0.056 Uiso 1 1 calc R . . . .
 C3B C 0.5566(6) 0.3628(6) 0.0140(3) 0.0311(17) Uani 1 1 d . . . . .
 H3B H 0.5766 0.4182 -0.0160 0.037 Uiso 1 1 calc R . . . .
 C3S C 0.4207(7) 0.0392(7) 0.6006(5) 0.047(2) Uani 1 1 d . . . . .
 H3S H 0.4382 0.0047 0.5643 0.057 Uiso 1 1 calc R . . . .
 C4 C 0.9957(6) 0.5979(6) 0.6157(3) 0.0307(17) Uani 1 1 d . . . . .
 H4 H 1.0259 0.6517 0.6340 0.037 Uiso 1 1 calc R . . . .
 C3aa C 0.5544(6) 0.2625(6) -0.0027(3) 0.0314(17) Uani 1 1 d . . . . .
 H4B H 0.5720 0.2488 -0.0442 0.038 Uiso 1 1 calc R . . . .
 C4S C 0.3285(8) 0.1082(7) 0.6063(5) 0.050(2) Uani 1 1 d . . . . .
 H4S H 0.2821 0.1212 0.5742 0.060 Uiso 1 1 calc R . . . .
 C5 C 0.9198(6) 0.5382(6) 0.6514(3) 0.0279(16) Uani 1 1 d . . . . .
 C2aa C 0.5269(6) 0.1823(6) 0.0406(4) 0.0332(18) Uani 1 1 d . . . . .
 H5B H 0.5260 0.1129 0.0291 0.040 Uiso 1 1 calc R . . . .
 C5S C 0.3052(7) 0.1576(8) 0.6590(5) 0.051(2) Uani 1 1 d . . . . .
 H5S H 0.2423 0.2053 0.6640 0.061 Uiso 1 1 calc R . . . .
 C6 C 0.8786(6) 0.4617(6) 0.6215(3) 0.0288(16) Uani 1 1 d . . . . .
 H6 H 0.8271 0.4178 0.6444 0.035 Uiso 1 1 calc R . . . .
 C1aa C 0.4999(7) 0.2030(6) 0.1019(3) 0.0313(17) Uani 1 1 d . . . . .
 H6B H 0.4815 0.1464 0.1313 0.038 Uiso 1 1 calc R . . . .
 C6S C 0.3730(8) 0.1377(8) 0.7040(4) 0.052(2) Uani 1 1 d . . . . .
 H6S H 0.3564 0.1716 0.7406 0.062 Uiso 1 1 calc R . . . .
 C7 C 0.8847(7) 0.5534(6) 0.7177(3) 0.0353(18) Uani 1 1 d . . . . .
 H7A H 0.8318 0.6146 0.7205 0.053 Uiso 1 1 calc GR . . . .
 H7B H 0.9492 0.5648 0.7382 0.053 Uiso 1 1 calc GR . . . .
 H7C H 0.8504 0.4907 0.7375 0.053 Uiso 1 1 calc GR . . . .
 C4aa C 0.5997(6) 0.2892(6) 0.2191(3) 0.0274(16) Uani 1 1 d . . . . .
 C7S C 0.5354(8) 0.0487(8) 0.7508(4) 0.054(2) Uani 1 1 d . . . . .
 H7SA H 0.5947 -0.0047 0.7410 0.082 Uiso 1 1 calc GR . . . .
 H7SB H 0.4899 0.0234 0.7877 0.082 Uiso 1 1 calc GR . . . .
 H7SC H 0.5670 0.1138 0.7579 0.082 Uiso 1 1 calc GR . . . .
 C8 C 0.9786(6) 0.1696(6) 0.5077(3) 0.0320(17) Uani 1 1 d . . . . .
 C8B C 0.6222(6) 0.1949(6) 0.2543(3) 0.0307(17) Uani 1 1 d . . . . .
 H8B H 0.5632 0.1519 0.2681 0.037 Uiso 1 1 calc R . . . .
 C9 C 0.8889(6) 0.1308(6) 0.4828(4) 0.0329(18) Uani 1 1 d . . . . .
 C9B C 0.7265(7) 0.1609(6) 0.2703(4) 0.0353(18) Uani 1 1 d . . . . .
 H9B H 0.7374 0.0961 0.2943 0.042 Uiso 1 1 calc R . . . .
 C10 C 0.8010(6) 0.1225(6) 0.5297(4) 0.0379(19) Uani 1 1 d . . . . .
 C10B C 0.8142(7) 0.2214(7) 0.2513(3) 0.0353(18) Uani 1 1 d . . . . .
 H10B H 0.8855 0.1996 0.2627 0.042 Uiso 1 1 calc R . . . .
 C11 C 0.8360(6) 0.1574(6) 0.5828(3) 0.0325(18) Uani 1 1 d . . . . .
 C11B C 0.7964(7) 0.3129(7) 0.2159(4) 0.040(2) Uani 1 1 d . . . . .
 H11B H 0.8562 0.3547 0.2019 0.048 Uiso 1 1 calc R . . . .
 C12 C 0.9443(6) 0.1866(6) 0.5690(4) 0.0341(18) Uani 1 1 d . . . . .
 C12B C 0.6925(7) 0.3455(7) 0.2003(4) 0.042(2) Uani 1 1 d . . . . .
 H12B H 0.6834 0.4097 0.1753 0.050 Uiso 1 1 calc R . . . .
 C13 C 1.0922(6) 0.1763(7) 0.4752(4) 0.040(2) Uani 1 1 d . . . . .
 H13A H 1.1341 0.2209 0.4964 0.061 Uiso 1 1 calc GR . . . .
 H13B H 1.0874 0.2068 0.4330 0.061 Uiso 1 1 calc GR . . . .
 H13C H 1.1293 0.1058 0.4749 0.061 Uiso 1 1 calc GR . . . .
 C13B C 0.3798(6) 0.2605(6) 0.2334(3) 0.0300(17) Uani 1 1 d . . . . .
 C14 C 0.8937(7) 0.0935(7) 0.4196(4) 0.045(2) Uani 1 1 d . . . . .
 H14A H 0.8207 0.0743 0.4124 0.068 Uiso 1 1 calc GR . . . .
 H14B H 0.9462 0.0321 0.4165 0.068 Uiso 1 1 calc GR . . . .
 H14C H 0.9173 0.1500 0.3890 0.068 Uiso 1 1 calc GR . . . .
 C14B C 0.2979(7) 0.2151(7) 0.2080(4) 0.0371(19) Uani 1 1 d . . . . .
 H14D H 0.2999 0.2192 0.1647 0.045 Uiso 1 1 calc R . . . .
 C15 C 0.6967(7) 0.0683(7) 0.5277(6) 0.059(3) Uani 1 1 d . . . . .
 H15A H 0.6362 0.1039 0.5522 0.088 Uiso 1 1 calc GR . . . .
 H15B H 0.7070 -0.0052 0.5443 0.088 Uiso 1 1 calc GR . . . .
 H15C H 0.6793 0.0709 0.4853 0.088 Uiso 1 1 calc GR . . . .
 C15B C 0.2139(7) 0.1644(6) 0.2428(4) 0.039(2) Uani 1 1 d . . . . .
 H15D H 0.1607 0.1336 0.2233 0.047 Uiso 1 1 calc R . . . .
 C16 C 0.7718(8) 0.1554(7) 0.6451(4) 0.053(3) Uani 1 1 d . . . . .
 H16A H 0.7940 0.2114 0.6674 0.080 Uiso 1 1 calc GR . . . .
 H16B H 0.7867 0.0872 0.6679 0.080 Uiso 1 1 calc GR . . . .
 H16C H 0.6930 0.1662 0.6405 0.080 Uiso 1 1 calc GR . . . .
 C16B C 0.2071(7) 0.1584(7) 0.3063(4) 0.043(2) Uani 1 1 d . . . . .
 H16D H 0.1504 0.1228 0.3306 0.052 Uiso 1 1 calc R . . . .
 C17 C 1.0183(8) 0.2129(7) 0.6146(4) 0.044(2) Uani 1 1 d . . . . .
 H17A H 1.0739 0.2586 0.5940 0.065 Uiso 1 1 calc GR . . . .
 H17B H 1.0546 0.1480 0.6324 0.065 Uiso 1 1 calc GR . . . .
 H17C H 0.9745 0.2492 0.6470 0.065 Uiso 1 1 calc GR . . . .
 C17B C 0.2846(7) 0.2055(6) 0.3331(4) 0.0349(18) Uani 1 1 d . . . . .
 H17D H 0.2800 0.2042 0.3764 0.042 Uiso 1 1 calc R . . . .
 C18B C 0.3691(6) 0.2547(6) 0.2976(3) 0.0319(17) Uani 1 1 d . . . . .
 H18B H 0.4219 0.2857 0.3174 0.038 Uiso 1 1 calc R . . . .
 C19B C 0.4431(7) 0.4497(6) 0.2030(3) 0.0345(19) Uani 1 1 d . . . . .
 C20B C 0.4824(10) 0.5047(7) 0.2477(4) 0.059(3) Uani 1 1 d . . . . .
 H20B H 0.5372 0.4709 0.2715 0.070 Uiso 1 1 calc R . . . .
 C21B C 0.4426(13) 0.6074(8) 0.2577(5) 0.083(4) Uani 1 1 d . . . . .
 H21B H 0.4704 0.6409 0.2888 0.099 Uiso 1 1 calc R . . . .
 C22B C 0.3665(12) 0.6604(8) 0.2250(5) 0.080(4) Uani 1 1 d . . . . .
 H22B H 0.3421 0.7310 0.2317 0.096 Uiso 1 1 calc R . . . .
 C23B C 0.3250(9) 0.6091(7) 0.1813(5) 0.060(3) Uani 1 1 d . . . . .
 H23G H 0.2703 0.6444 0.1579 0.072 Uiso 1 1 calc R . . . .
 C24B C 0.3624(7) 0.5057(7) 0.1709(4) 0.046(2) Uani 1 1 d . . . . .
 H24G H 0.3315 0.4725 0.1408 0.055 Uiso 1 1 calc R . . . .
 B1 B 0.4794(8) 0.3243(7) 0.1944(4) 0.0301(19) Uani 1 1 d . . . . .
 C18 C 0.6972(13) 0.4180(16) 0.4243(7) 0.031(3) Uani 0.616(15) 1 d . U P B 1
 C19 C 0.6355(12) 0.3397(13) 0.4591(8) 0.026(3) Uani 0.616(15) 1 d . U P B 1
 C20 C 0.6083(12) 0.3716(13) 0.5199(7) 0.023(3) Uani 0.616(15) 1 d . U P B 1
 C21 C 0.6601(16) 0.4679(16) 0.5203(10) 0.026(4) Uani 0.616(15) 1 d . U P B 1
 C22 C 0.7149(14) 0.4973(14) 0.4629(8) 0.030(4) Uani 0.616(15) 1 d . U P B 1
 C23 C 0.7321(13) 0.4174(15) 0.3574(6) 0.050(4) Uani 0.616(15) 1 d . U P B 1
 H23A H 0.7737 0.4790 0.3433 0.075 Uiso 0.616(15) 1 calc R . P B 1
 H23B H 0.7786 0.3533 0.3498 0.075 Uiso 0.616(15) 1 calc R . P B 1
 H23C H 0.6670 0.4196 0.3351 0.075 Uiso 0.616(15) 1 calc R . P B 1
 C24 C 0.5850(12) 0.2517(11) 0.4321(7) 0.037(3) Uani 0.616(15) 1 d . U P B 1
 H24A H 0.5464 0.2077 0.4650 0.055 Uiso 0.616(15) 1 calc R . P B 1
 H24B H 0.5328 0.2822 0.4035 0.055 Uiso 0.616(15) 1 calc R . P B 1
 H24C H 0.6432 0.2087 0.4103 0.055 Uiso 0.616(15) 1 calc R . P B 1
 C25 C 0.5368(10) 0.3197(12) 0.5701(7) 0.036(3) Uani 0.616(15) 1 d . U P B 1
 H25A H 0.5130 0.2549 0.5570 0.054 Uiso 0.616(15) 1 calc R . P B 1
 H25B H 0.5777 0.3027 0.6059 0.054 Uiso 0.616(15) 1 calc R . P B 1
 H25C H 0.4722 0.3670 0.5807 0.054 Uiso 0.616(15) 1 calc R . P B 1
 C26 C 0.6425(13) 0.5371(12) 0.5740(7) 0.036(3) Uani 0.616(15) 1 d . U P B 1
 H26A H 0.6022 0.4995 0.6091 0.053 Uiso 0.616(15) 1 calc R . P B 1
 H26B H 0.7140 0.5535 0.5853 0.053 Uiso 0.616(15) 1 calc R . P B 1
 H26C H 0.6002 0.6025 0.5620 0.053 Uiso 0.616(15) 1 calc R . P B 1
 C27 C 0.7684(11) 0.5945(11) 0.4436(8) 0.042(4) Uani 0.616(15) 1 d . U P B 1
 H27A H 0.7999 0.5933 0.4009 0.063 Uiso 0.616(15) 1 calc R . P B 1
 H27B H 0.7143 0.6545 0.4473 0.063 Uiso 0.616(15) 1 calc R . P B 1
 H27C H 0.8271 0.6008 0.4696 0.063 Uiso 0.616(15) 1 calc R . P B 1
 C18A C 0.708(2) 0.461(2) 0.4275(13) 0.035(5) Uani 0.384(15) 1 d . U P B 2
 C19A C 0.650(2) 0.369(3) 0.4398(12) 0.030(5) Uani 0.384(15) 1 d . U P B 2
 C20A C 0.607(3) 0.363(2) 0.4999(14) 0.036(6) Uani 0.384(15) 1 d . U P B 2
 C21A C 0.635(3) 0.451(3) 0.5279(14) 0.026(5) Uani 0.384(15) 1 d . U P B 2
 C22A C 0.695(2) 0.509(2) 0.4818(14) 0.031(5) Uani 0.384(15) 1 d . U P B 2
 C23A C 0.746(2) 0.504(2) 0.3627(11) 0.050(6) Uani 0.384(15) 1 d . U P B 2
 H23D H 0.7459 0.4490 0.3348 0.076 Uiso 0.384(15) 1 calc R . P B 2
 H23E H 0.6969 0.5640 0.3501 0.076 Uiso 0.384(15) 1 calc R . P B 2
 H23F H 0.8211 0.5264 0.3616 0.076 Uiso 0.384(15) 1 calc R . P B 2
 C24A C 0.622(2) 0.295(2) 0.3955(12) 0.049(6) Uani 0.384(15) 1 d . U P B 2
 H24D H 0.6611 0.3123 0.3552 0.073 Uiso 0.384(15) 1 calc R . P B 2
 H24E H 0.6443 0.2223 0.4102 0.073 Uiso 0.384(15) 1 calc R . P B 2
 H24F H 0.5426 0.3011 0.3925 0.073 Uiso 0.384(15) 1 calc R . P B 2
 C25A C 0.5190(19) 0.291(2) 0.5358(13) 0.046(6) Uani 0.384(15) 1 d . U P B 2
 H25D H 0.5075 0.3075 0.5786 0.069 Uiso 0.384(15) 1 calc R . P B 2
 H25E H 0.4495 0.3042 0.5174 0.069 Uiso 0.384(15) 1 calc R . P B 2
 H25F H 0.5451 0.2172 0.5340 0.069 Uiso 0.384(15) 1 calc R . P B 2
 C26A C 0.605(2) 0.486(2) 0.5919(10) 0.046(6) Uani 0.384(15) 1 d . U P B 2
 H26D H 0.5626 0.4324 0.6167 0.069 Uiso 0.384(15) 1 calc R . P B 2
 H26E H 0.6721 0.4943 0.6106 0.069 Uiso 0.384(15) 1 calc R . P B 2
 H26F H 0.5605 0.5528 0.5895 0.069 Uiso 0.384(15) 1 calc R . P B 2
 C27A C 0.742(2) 0.6181(18) 0.4857(12) 0.045(6) Uani 0.384(15) 1 d . U P B 2
 H27D H 0.7808 0.6410 0.4461 0.067 Uiso 0.384(15) 1 calc R . P B 2
 H27E H 0.6813 0.6699 0.4961 0.067 Uiso 0.384(15) 1 calc R . P B 2
 H27F H 0.7929 0.6115 0.5172 0.067 Uiso 0.384(15) 1 calc R . P B 2


_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
 Dy1 N1 2.433(6) . ?
 Dy1 N3 2.428(6) 2_766 ?
 Dy1 C9 2.658(7) . ?
 Dy1 C10 2.660(8) . ?
 Dy1 C11 2.651(8) . ?
 Dy1 C12 2.652(8) . ?
 Dy1 C18 2.604(16) . ?
 Dy1 C19 2.596(15) . ?
 Dy1 C20 2.641(15) . ?
 Dy1 C21 2.60(2) . ?
 Dy1 C22 2.601(18) . ?
 Dy1 C20A 2.67(3) . ?
 Dy1B N1B 2.423(6) . ?
 Dy1B N3B 2.411(6) 2_575 ?
 Dy1B C38 2.621(15) . ?
 Dy1B C28A 2.54(3) . ?
 Dy1B C29A 2.500(16) . ?
 Dy1B C30A 2.518(16) . ?
 Dy1B C31A 2.552(13) . ?
 Dy1B C32A 2.616(17) . ?
 Dy1B C38A 2.597(16) . ?
 Dy1B C40A 2.59(2) . ?
 Dy1B C41A 2.57(3) . ?
 Dy1B C42A 2.565(19) . ?
 N1B C2B 1.374(9) . ?
 N1B C6B 1.334(9) . ?
 N3B Dy1B 2.411(6) 2_575 ?
 N3B C2B 1.383(9) . ?
 N3B C4B 1.336(10) . ?
 C2B C2B 1.403(14) 2_575 ?
 C4B H4A 0.9500 . ?
 C4B C5B 1.385(10) . ?
 C5B C6B 1.382(10) . ?
 C5B C7B 1.504(10) . ?
 C6B H6A 0.9500 . ?
 C7B H7AA 0.9800 . ?
 C7B H7AB 0.9800 . ?
 C7B H7AC 0.9800 . ?
 C28 C29 1.41(3) . ?
 C28 C32 1.41(3) . ?
 C28 C33 1.53(3) . ?
 C29 C30 1.40(2) . ?
 C29 C34 1.54(2) . ?
 C30 C31 1.40(3) . ?
 C30 C35 1.50(2) . ?
 C31 C32 1.38(3) . ?
 C31 C36 1.52(2) . ?
 C32 C37 1.52(2) . ?
 C33 H33D 0.9800 . ?
 C33 H33E 0.9800 . ?
 C33 H33F 0.9800 . ?
 C34 H34D 0.9800 . ?
 C34 H34E 0.9800 . ?
 C34 H34F 0.9800 . ?
 C35 H35D 0.9800 . ?
 C35 H35E 0.9800 . ?
 C35 H35F 0.9800 . ?
 C36 H36D 0.9800 . ?
 C36 H36E 0.9800 . ?
 C36 H36F 0.9800 . ?
 C37 H37D 0.9800 . ?
 C37 H37E 0.9800 . ?
 C37 H37F 0.9800 . ?
 C38 C39 1.40(3) . ?
 C38 C42 1.40(3) . ?
 C38 C43 1.51(2) . ?
 C39 C40 1.42(3) . ?
 C39 C44 1.54(3) . ?
 C40 C41 1.47(4) . ?
 C40 C45 1.49(3) . ?
 C41 C42 1.37(3) . ?
 C41 C46 1.52(3) . ?
 C42 C47 1.52(2) . ?
 C43 H43A 0.9800 . ?
 C43 H43B 0.9800 . ?
 C43 H43C 0.9800 . ?
 C44 H44A 0.9800 . ?
 C44 H44B 0.9800 . ?
 C44 H44C 0.9800 . ?
 C45 H45A 0.9800 . ?
 C45 H45B 0.9800 . ?
 C45 H45C 0.9800 . ?
 C46 H46A 0.9800 . ?
 C46 H46B 0.9800 . ?
 C46 H46C 0.9800 . ?
 C47 H47A 0.9800 . ?
 C47 H47B 0.9800 . ?
 C47 H47C 0.9800 . ?
 C28A C29A 1.44(3) . ?
 C28A C32A 1.44(3) . ?
 C28A C33A 1.51(3) . ?
 C29A C30A 1.43(3) . ?
 C29A C34A 1.49(2) . ?
 C30A C31A 1.38(2) . ?
 C30A C35A 1.48(2) . ?
 C31A C32A 1.41(2) . ?
 C31A C36A 1.52(2) . ?
 C32A C37A 1.51(2) . ?
 C33A H33A 0.9800 . ?
 C33A H33B 0.9800 . ?
 C33A H33C 0.9800 . ?
 C34A H34A 0.9800 . ?
 C34A H34B 0.9800 . ?
 C34A H34C 0.9800 . ?
 C35A H35A 0.9800 . ?
 C35A H35B 0.9800 . ?
 C35A H35C 0.9800 . ?
 C36A H36A 0.9800 . ?
 C36A H36B 0.9800 . ?
 C36A H36C 0.9800 . ?
 C37A H37A 0.9800 . ?
 C37A H37B 0.9800 . ?
 C37A H37C 0.9800 . ?
 C38A C39A 1.41(3) . ?
 C38A C42A 1.43(3) . ?
 C38A C43A 1.47(2) . ?
 C39A C40A 1.44(3) . ?
 C39A C44A 1.53(2) . ?
 C40A C41A 1.38(4) . ?
 C40A C45A 1.52(3) . ?
 C41A C42A 1.42(4) . ?
 C41A C46A 1.53(4) . ?
 C42A C47A 1.49(3) . ?
 C43A H43D 0.9800 . ?
 C43A H43E 0.9800 . ?
 C43A H43F 0.9800 . ?
 C44A H44D 0.9800 . ?
 C44A H44E 0.9800 . ?
 C44A H44F 0.9800 . ?
 C45A H45D 0.9800 . ?
 C45A H45E 0.9800 . ?
 C45A H45F 0.9800 . ?
 C46A H46D 0.9800 . ?
 C46A H46E 0.9800 . ?
 C46A H46F 0.9800 . ?
 C47A H47D 0.9800 . ?
 C47A H47E 0.9800 . ?
 C47A H47F 0.9800 . ?
 N1 C2 1.385(9) . ?
 N1 C6 1.332(9) . ?
 N3 Dy1 2.428(6) 2_766 ?
 N3 C2 1.371(9) . ?
 N3 C4 1.339(9) . ?
 C1B C0aa 1.417(10) . ?
 C1B C1aa 1.404(11) . ?
 C1B B1 1.644(11) . ?
 C1S C2S 1.347(13) . ?
 C1S C6S 1.374(13) . ?
 C1S C7S 1.515(13) . ?
 C2 C2 1.406(13) 2_766 ?
 C0aa H2B 0.9500 . ?
 C0aa C3B 1.394(10) . ?
 C2S H2S 0.9500 . ?
 C2S C3S 1.350(13) . ?
 C3B H3B 0.9500 . ?
 C3B C3aa 1.374(11) . ?
 C3S H3S 0.9500 . ?
 C3S C4S 1.382(13) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.382(10) . ?
 C3aa H4B 0.9500 . ?
 C3aa C2aa 1.370(11) . ?
 C4S H4S 0.9500 . ?
 C4S C5S 1.373(14) . ?
 C5 C6 1.388(10) . ?
 C5 C7 1.508(10) . ?
 C2aa H5B 0.9500 . ?
 C2aa C1aa 1.406(11) . ?
 C5S H5S 0.9500 . ?
 C5S C6S 1.357(13) . ?
 C6 H6 0.9500 . ?
 C1aa H6B 0.9500 . ?
 C6S H6S 0.9500 . ?
 C7 H7A 0.9800 . ?
 C7 H7B 0.9800 . ?
 C7 H7C 0.9800 . ?
 C4aa C8B 1.397(11) . ?
 C4aa C12B 1.399(11) . ?
 C4aa B1 1.643(12) . ?
 C7S H7SA 0.9800 . ?
 C7S H7SB 0.9800 . ?
 C7S H7SC 0.9800 . ?
 C8 C9 1.424(11) . ?
 C8 C12 1.407(11) . ?
 C8 C13 1.502(11) . ?
 C8B H8B 0.9500 . ?
 C8B C9B 1.389(11) . ?
 C9 C10 1.414(11) . ?
 C9 C14 1.513(11) . ?
 C9B H9B 0.9500 . ?
 C9B C10B 1.380(11) . ?
 C10 C11 1.414(12) . ?
 C10 C15 1.510(12) . ?
 C10B H10B 0.9500 . ?
 C10B C11B 1.361(12) . ?
 C11 C12 1.402(11) . ?
 C11 C16 1.509(11) . ?
 C11B H11B 0.9500 . ?
 C11B C12B 1.380(12) . ?
 C12 C17 1.505(11) . ?
 C12B H12B 0.9500 . ?
 C13 H13A 0.9800 . ?
 C13 H13B 0.9800 . ?
 C13 H13C 0.9800 . ?
 C13B C14B 1.393(11) . ?
 C13B C18B 1.405(10) . ?
 C13B B1 1.641(12) . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C14B H14D 0.9500 . ?
 C14B C15B 1.383(11) . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 H15C 0.9800 . ?
 C15B H15D 0.9500 . ?
 C15B C16B 1.390(12) . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C16B H16D 0.9500 . ?
 C16B C17B 1.379(12) . ?
 C17 H17A 0.9800 . ?
 C17 H17B 0.9800 . ?
 C17 H17C 0.9800 . ?
 C17B H17D 0.9500 . ?
 C17B C18B 1.385(11) . ?
 C18B H18B 0.9500 . ?
 C19B C20B 1.413(12) . ?
 C19B C24B 1.392(12) . ?
 C19B B1 1.656(11) . ?
 C20B H20B 0.9500 . ?
 C20B C21B 1.397(14) . ?
 C21B H21B 0.9500 . ?
 C21B C22B 1.345(19) . ?
 C22B H22B 0.9500 . ?
 C22B C23B 1.381(17) . ?
 C23B H23G 0.9500 . ?
 C23B C24B 1.399(12) . ?
 C24B H24G 0.9500 . ?
 C18 C19 1.42(2) . ?
 C18 C22 1.43(2) . ?
 C18 C23 1.49(2) . ?
 C19 C20 1.440(18) . ?
 C19 C24 1.528(18) . ?
 C20 C21 1.43(2) . ?
 C20 C25 1.476(19) . ?
 C21 C22 1.40(2) . ?
 C21 C26 1.54(2) . ?
 C22 C27 1.46(2) . ?
 C23 H23A 0.9800 . ?
 C23 H23B 0.9800 . ?
 C23 H23C 0.9800 . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 C25 H25A 0.9800 . ?
 C25 H25B 0.9800 . ?
 C25 H25C 0.9800 . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C27 H27A 0.9800 . ?
 C27 H27B 0.9800 . ?
 C27 H27C 0.9800 . ?
 C18A C19A 1.41(4) . ?
 C18A C22A 1.39(4) . ?
 C18A C23A 1.52(3) . ?
 C19A C20A 1.37(4) . ?
 C19A C24A 1.51(3) . ?
 C20A C21A 1.43(4) . ?
 C20A C25A 1.57(4) . ?
 C21A C22A 1.38(4) . ?
 C21A C26A 1.52(4) . ?
 C22A C27A 1.56(4) . ?
 C23A H23D 0.9800 . ?
 C23A H23E 0.9800 . ?
 C23A H23F 0.9800 . ?
 C24A H24D 0.9800 . ?
 C24A H24E 0.9800 . ?
 C24A H24F 0.9800 . ?
 C25A H25D 0.9800 . ?
 C25A H25E 0.9800 . ?
 C25A H25F 0.9800 . ?
 C26A H26D 0.9800 . ?
 C26A H26E 0.9800 . ?
 C26A H26F 0.9800 . ?
 C27A H27D 0.9800 . ?
 C27A H27E 0.9800 . ?
 C27A H27F 0.9800 . ?

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
 N1 Dy1 C9 128.7(2) . . ?
 N1 Dy1 C10 128.3(2) . . ?
 N1 Dy1 C11 97.8(2) . . ?
 N1 Dy1 C12 81.0(2) . . ?
 N1 Dy1 C18 115.5(4) . . ?
 N1 Dy1 C19 132.1(4) . . ?
 N1 Dy1 C20 107.0(4) . . ?
 N1 Dy1 C21 80.2(4) . . ?
 N1 Dy1 C22 84.4(4) . . ?
 N1 Dy1 C20A 115.4(7) . . ?
 N3 Dy1 N1 68.66(19) 2_766 . ?
 N3 Dy1 C9 98.3(2) 2_766 . ?
 N3 Dy1 C10 128.7(2) 2_766 . ?
 N3 Dy1 C11 128.7(2) 2_766 . ?
 N3 Dy1 C12 98.5(2) 2_766 . ?
 N3 Dy1 C18 85.5(4) 2_766 . ?
 N3 Dy1 C19 116.2(4) 2_766 . ?
 N3 Dy1 C20 132.4(4) 2_766 . ?
 N3 Dy1 C21 106.8(4) 2_766 . ?
 N3 Dy1 C22 79.7(4) 2_766 . ?
 N3 Dy1 C20A 128.5(7) 2_766 . ?
 C9 Dy1 C10 30.8(2) . . ?
 C9 Dy1 C20A 111.0(7) . . ?
 C10 Dy1 C20A 90.8(7) . . ?
 C11 Dy1 C9 50.9(2) . . ?
 C11 Dy1 C10 30.9(3) . . ?
 C11 Dy1 C12 30.7(2) . . ?
 C11 Dy1 C20A 102.4(7) . . ?
 C12 Dy1 C9 50.9(2) . . ?
 C12 Dy1 C10 50.9(2) . . ?
 C12 Dy1 C20A 133.0(7) . . ?
 C18 Dy1 C9 112.4(4) . . ?
 C18 Dy1 C10 114.3(5) . . ?
 C18 Dy1 C11 140.3(5) . . ?
 C18 Dy1 C12 163.2(4) . . ?
 C18 Dy1 C20 52.4(5) . . ?
 C19 Dy1 C9 98.6(4) . . ?
 C19 Dy1 C10 87.7(4) . . ?
 C19 Dy1 C11 109.2(4) . . ?
 C19 Dy1 C12 137.9(4) . . ?
 C19 Dy1 C18 31.7(5) . . ?
 C19 Dy1 C20 31.9(4) . . ?
 C19 Dy1 C21 52.2(5) . . ?
 C19 Dy1 C22 53.1(5) . . ?
 C20 Dy1 C9 116.2(4) . . ?
 C20 Dy1 C10 92.3(4) . . ?
 C20 Dy1 C11 98.8(4) . . ?
 C20 Dy1 C12 128.4(4) . . ?
 C21 Dy1 C9 147.8(4) . . ?
 C21 Dy1 C10 122.8(4) . . ?
 C21 Dy1 C11 119.7(5) . . ?
 C21 Dy1 C12 140.2(5) . . ?
 C21 Dy1 C18 51.6(6) . . ?
 C21 Dy1 C20 31.7(5) . . ?
 C21 Dy1 C22 31.3(5) . . ?
 C22 Dy1 C9 144.1(4) . . ?
 C22 Dy1 C10 140.6(4) . . ?
 C22 Dy1 C11 150.4(4) . . ?
 C22 Dy1 C12 164.9(4) . . ?
 C22 Dy1 C18 31.9(5) . . ?
 C22 Dy1 C20 53.0(5) . . ?
 N1B Dy1B C38 89.7(5) . . ?
 N1B Dy1B C28A 77.8(6) . . ?
 N1B Dy1B C29A 101.8(6) . . ?
 N1B Dy1B C30A 131.6(4) . . ?
 N1B Dy1B C31A 121.9(4) . . ?
 N1B Dy1B C32A 90.2(4) . . ?
 N1B Dy1B C38A 103.2(6) . . ?
 N1B Dy1B C40A 128.8(5) . . ?
 N1B Dy1B C41A 97.7(7) . . ?
 N1B Dy1B C42A 82.8(5) . . ?
 N3B Dy1B N1B 69.0(2) 2_575 . ?
 N3B Dy1B C38 120.7(5) 2_575 . ?
 N3B Dy1B C28A 99.0(5) 2_575 . ?
 N3B Dy1B C29A 129.4(4) 2_575 . ?
 N3B Dy1B C30A 119.5(5) 2_575 . ?
 N3B Dy1B C31A 87.8(4) 2_575 . ?
 N3B Dy1B C32A 75.8(4) 2_575 . ?
 N3B Dy1B C38A 131.8(5) 2_575 . ?
 N3B Dy1B C40A 93.5(4) 2_575 . ?
 N3B Dy1B C41A 80.5(9) 2_575 . ?
 N3B Dy1B C42A 101.4(6) 2_575 . ?
 C28A Dy1B C31A 53.3(6) . . ?
 C28A Dy1B C32A 32.3(6) . . ?
 C28A Dy1B C38A 126.7(6) . . ?
 C28A Dy1B C40A 153.3(8) . . ?
 C28A Dy1B C41A 175.4(9) . . ?
 C28A Dy1B C42A 144.6(7) . . ?
 C29A Dy1B C28A 33.3(7) . . ?
 C29A Dy1B C30A 33.2(6) . . ?
 C29A Dy1B C31A 53.9(5) . . ?
 C29A Dy1B C32A 54.1(6) . . ?
 C29A Dy1B C38A 98.7(6) . . ?
 C29A Dy1B C40A 124.3(7) . . ?
 C29A Dy1B C41A 148.7(10) . . ?
 C29A Dy1B C42A 127.5(7) . . ?
 C30A Dy1B C28A 54.1(7) . . ?
 C30A Dy1B C31A 31.7(5) . . ?
 C30A Dy1B C32A 53.0(6) . . ?
 C30A Dy1B C38A 101.3(7) . . ?
 C30A Dy1B C40A 99.3(6) . . ?
 C30A Dy1B C41A 130.1(8) . . ?
 C30A Dy1B C42A 132.8(7) . . ?
 C31A Dy1B C32A 31.7(5) . . ?
 C31A Dy1B C38A 129.6(7) . . ?
 C31A Dy1B C40A 104.1(6) . . ?
 C31A Dy1B C41A 131.1(7) . . ?
 C31A Dy1B C42A 155.2(6) . . ?
 C38A Dy1B C32A 152.1(6) . . ?
 C40A Dy1B C32A 133.2(6) . . ?
 C40A Dy1B C38A 53.1(6) . . ?
 C41A Dy1B C32A 150.3(9) . . ?
 C41A Dy1B C38A 52.7(9) . . ?
 C41A Dy1B C40A 31.0(9) . . ?
 C42A Dy1B C32A 173.0(6) . . ?
 C42A Dy1B C38A 32.1(6) . . ?
 C42A Dy1B C40A 52.8(7) . . ?
 C42A Dy1B C41A 32.1(9) . . ?
 C2B N1B Dy1B 116.2(4) . . ?
 C6B N1B Dy1B 125.4(5) . . ?
 C6B N1B C2B 117.9(6) . . ?
 C2B N3B Dy1B 116.5(5) . 2_575 ?
 C4B N3B Dy1B 126.8(5) . 2_575 ?
 C4B N3B C2B 116.7(6) . . ?
 N1B C2B N3B 122.1(6) . . ?
 N1B C2B C2B 119.1(8) . 2_575 ?
 N3B C2B C2B 118.8(8) . 2_575 ?
 N3B C4B H4A 117.7 . . ?
 N3B C4B C5B 124.6(6) . . ?
 C5B C4B H4A 117.7 . . ?
 C4B C5B C7B 122.8(6) . . ?
 C6B C5B C4B 115.1(7) . . ?
 C6B C5B C7B 122.1(7) . . ?
 N1B C6B C5B 123.6(7) . . ?
 N1B C6B H6A 118.2 . . ?
 C5B C6B H6A 118.2 . . ?
 C5B C7B H7AA 109.5 . . ?
 C5B C7B H7AB 109.5 . . ?
 C5B C7B H7AC 109.5 . . ?
 H7AA C7B H7AB 109.5 . . ?
 H7AA C7B H7AC 109.5 . . ?
 H7AB C7B H7AC 109.5 . . ?
 C29 C28 Dy1B 76.0(12) . . ?
 C29 C28 C33 125(2) . . ?
 C32 C28 Dy1B 72.7(15) . . ?
 C32 C28 C29 107(2) . . ?
 C32 C28 C33 127.6(19) . . ?
 C33 C28 Dy1B 121.5(17) . . ?
 C28 C29 Dy1B 74.3(14) . . ?
 C28 C29 C34 125.3(18) . . ?
 C30 C29 Dy1B 74.9(10) . . ?
 C30 C29 C28 109.1(18) . . ?
 C30 C29 C34 125.4(16) . . ?
 C34 C29 Dy1B 120.9(10) . . ?
 C29 C30 Dy1B 75.6(10) . . ?
 C29 C30 C35 124.2(17) . . ?
 C31 C30 Dy1B 72.7(10) . . ?
 C31 C30 C29 106.4(15) . . ?
 C31 C30 C35 128.5(19) . . ?
 C35 C30 Dy1B 125.3(10) . . ?
 C30 C31 Dy1B 77.6(10) . . ?
 C30 C31 C36 124.6(18) . . ?
 C32 C31 Dy1B 74.7(12) . . ?
 C32 C31 C30 110.0(16) . . ?
 C32 C31 C36 125(2) . . ?
 C36 C31 Dy1B 117.2(10) . . ?
 C28 C32 Dy1B 77.2(14) . . ?
 C28 C32 C37 124(2) . . ?
 C31 C32 Dy1B 75.5(12) . . ?
 C31 C32 C28 107.7(19) . . ?
 C31 C32 C37 128(2) . . ?
 C37 C32 Dy1B 120.5(14) . . ?
 C28 C33 H33D 109.5 . . ?
 C28 C33 H33E 109.5 . . ?
 C28 C33 H33F 109.5 . . ?
 H33D C33 H33E 109.5 . . ?
 H33D C33 H33F 109.5 . . ?
 H33E C33 H33F 109.5 . . ?
 C29 C34 H34D 109.5 . . ?
 C29 C34 H34E 109.5 . . ?
 C29 C34 H34F 109.5 . . ?
 H34D C34 H34E 109.5 . . ?
 H34D C34 H34F 109.5 . . ?
 H34E C34 H34F 109.5 . . ?
 C30 C35 H35D 109.5 . . ?
 C30 C35 H35E 109.5 . . ?
 C30 C35 H35F 109.5 . . ?
 H35D C35 H35E 109.5 . . ?
 H35D C35 H35F 109.5 . . ?
 H35E C35 H35F 109.5 . . ?
 C31 C36 H36D 109.5 . . ?
 C31 C36 H36E 109.5 . . ?
 C31 C36 H36F 109.5 . . ?
 H36D C36 H36E 109.5 . . ?
 H36D C36 H36F 109.5 . . ?
 H36E C36 H36F 109.5 . . ?
 C32 C37 H37D 109.5 . . ?
 C32 C37 H37E 109.5 . . ?
 C32 C37 H37F 109.5 . . ?
 H37D C37 H37E 109.5 . . ?
 H37D C37 H37F 109.5 . . ?
 H37E C37 H37F 109.5 . . ?
 C39 C38 Dy1B 75.0(9) . . ?
 C39 C38 C43 123(2) . . ?
 C42 C38 Dy1B 78.4(10) . . ?
 C42 C38 C39 108.4(16) . . ?
 C42 C38 C43 128.2(19) . . ?
 C43 C38 Dy1B 116.5(10) . . ?
 C38 C39 Dy1B 74.1(9) . . ?
 C38 C39 C40 108.7(17) . . ?
 C38 C39 C44 126(2) . . ?
 C40 C39 Dy1B 76.8(10) . . ?
 C40 C39 C44 124(2) . . ?
 C44 C39 Dy1B 123.2(11) . . ?
 C39 C40 Dy1B 72.3(11) . . ?
 C39 C40 C41 105(2) . . ?
 C39 C40 C45 130.6(19) . . ?
 C41 C40 Dy1B 76.3(11) . . ?
 C41 C40 C45 123.4(19) . . ?
 C45 C40 Dy1B 123.4(11) . . ?
 C40 C41 Dy1B 72.3(13) . . ?
 C40 C41 C46 125(2) . . ?
 C42 C41 Dy1B 74.1(12) . . ?
 C42 C41 C40 108(3) . . ?
 C42 C41 C46 127(3) . . ?
 C46 C41 Dy1B 126.1(18) . . ?
 C38 C42 Dy1B 71.3(9) . . ?
 C38 C42 C47 124.0(17) . . ?
 C41 C42 Dy1B 76.8(14) . . ?
 C41 C42 C38 109(2) . . ?
 C41 C42 C47 126(2) . . ?
 C47 C42 Dy1B 121.9(11) . . ?
 C38 C43 H43A 109.5 . . ?
 C38 C43 H43B 109.5 . . ?
 C38 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 C39 C44 H44A 109.5 . . ?
 C39 C44 H44B 109.5 . . ?
 C39 C44 H44C 109.5 . . ?
 H44A C44 H44B 109.5 . . ?
 H44A C44 H44C 109.5 . . ?
 H44B C44 H44C 109.5 . . ?
 C40 C45 H45A 109.5 . . ?
 C40 C45 H45B 109.5 . . ?
 C40 C45 H45C 109.5 . . ?
 H45A C45 H45B 109.5 . . ?
 H45A C45 H45C 109.5 . . ?
 H45B C45 H45C 109.5 . . ?
 C41 C46 H46A 109.5 . . ?
 C41 C46 H46B 109.5 . . ?
 C41 C46 H46C 109.5 . . ?
 H46A C46 H46B 109.5 . . ?
 H46A C46 H46C 109.5 . . ?
 H46B C46 H46C 109.5 . . ?
 C42 C47 H47A 109.5 . . ?
 C42 C47 H47B 109.5 . . ?
 C42 C47 H47C 109.5 . . ?
 H47A C47 H47B 109.5 . . ?
 H47A C47 H47C 109.5 . . ?
 H47B C47 H47C 109.5 . . ?
 C29A C28A Dy1B 71.8(12) . . ?
 C29A C28A C33A 128(2) . . ?
 C32A C28A Dy1B 76.8(13) . . ?
 C32A C28A C29A 108.1(19) . . ?
 C32A C28A C33A 123.3(19) . . ?
 C33A C28A Dy1B 125.7(16) . . ?
 C28A C29A Dy1B 74.9(13) . . ?
 C28A C29A C34A 124(2) . . ?
 C30A C29A Dy1B 74.1(9) . . ?
 C30A C29A C28A 106.4(16) . . ?
 C30A C29A C34A 129(2) . . ?
 C34A C29A Dy1B 121.1(10) . . ?
 C29A C30A Dy1B 72.7(9) . . ?
 C29A C30A C35A 125.4(19) . . ?
 C31A C30A Dy1B 75.5(9) . . ?
 C31A C30A C29A 108.8(15) . . ?
 C31A C30A C35A 125.2(17) . . ?
 C35A C30A Dy1B 125.4(11) . . ?
 C30A C31A Dy1B 72.8(8) . . ?
 C30A C31A C32A 110.0(15) . . ?
 C30A C31A C36A 124.1(16) . . ?
 C32A C31A Dy1B 76.6(9) . . ?
 C32A C31A C36A 125.7(15) . . ?
 C36A C31A Dy1B 121.6(9) . . ?
 C28A C32A Dy1B 70.9(12) . . ?
 C28A C32A C37A 125.4(17) . . ?
 C31A C32A Dy1B 71.6(8) . . ?
 C31A C32A C28A 106.6(17) . . ?
 C31A C32A C37A 128.0(15) . . ?
 C37A C32A Dy1B 122.9(12) . . ?
 C28A C33A H33A 109.5 . . ?
 C28A C33A H33B 109.5 . . ?
 C28A C33A H33C 109.5 . . ?
 H33A C33A H33B 109.5 . . ?
 H33A C33A H33C 109.5 . . ?
 H33B C33A H33C 109.5 . . ?
 C29A C34A H34A 109.5 . . ?
 C29A C34A H34B 109.5 . . ?
 C29A C34A H34C 109.5 . . ?
 H34A C34A H34B 109.5 . . ?
 H34A C34A H34C 109.5 . . ?
 H34B C34A H34C 109.5 . . ?
 C30A C35A H35A 109.5 . . ?
 C30A C35A H35B 109.5 . . ?
 C30A C35A H35C 109.5 . . ?
 H35A C35A H35B 109.5 . . ?
 H35A C35A H35C 109.5 . . ?
 H35B C35A H35C 109.5 . . ?
 C31A C36A H36A 109.5 . . ?
 C31A C36A H36B 109.5 . . ?
 C31A C36A H36C 109.5 . . ?
 H36A C36A H36B 109.5 . . ?
 H36A C36A H36C 109.5 . . ?
 H36B C36A H36C 109.5 . . ?
 C32A C37A H37A 109.5 . . ?
 C32A C37A H37B 109.5 . . ?
 C32A C37A H37C 109.5 . . ?
 H37A C37A H37B 109.5 . . ?
 H37A C37A H37C 109.5 . . ?
 H37B C37A H37C 109.5 . . ?
 C39A C38A Dy1B 75.6(9) . . ?
 C39A C38A C42A 106.9(16) . . ?
 C39A C38A C43A 125(2) . . ?
 C42A C38A Dy1B 72.7(10) . . ?
 C42A C38A C43A 128(2) . . ?
 C43A C38A Dy1B 120.9(11) . . ?
 C38A C39A Dy1B 73.1(9) . . ?
 C38A C39A C40A 109.0(17) . . ?
 C38A C39A C44A 127.8(18) . . ?
 C40A C39A Dy1B 72.4(11) . . ?
 C40A C39A C44A 122.1(17) . . ?
 C44A C39A Dy1B 130.0(11) . . ?
 C39A C40A Dy1B 75.5(11) . . ?
 C39A C40A C45A 124.6(19) . . ?
 C41A C40A Dy1B 73.7(13) . . ?
 C41A C40A C39A 107(2) . . ?
 C41A C40A C45A 129(2) . . ?
 C45A C40A Dy1B 120.6(11) . . ?
 C40A C41A Dy1B 75.2(15) . . ?
 C40A C41A C42A 110(3) . . ?
 C40A C41A C46A 126(2) . . ?
 C42A C41A Dy1B 73.8(13) . . ?
 C42A C41A C46A 124(3) . . ?
 C46A C41A Dy1B 121.7(19) . . ?
 C38A C42A Dy1B 75.2(10) . . ?
 C38A C42A C47A 125(2) . . ?
 C41A C42A Dy1B 74.1(14) . . ?
 C41A C42A C38A 107(2) . . ?
 C41A C42A C47A 127(2) . . ?
 C47A C42A Dy1B 122.6(12) . . ?
 C38A C43A H43D 109.5 . . ?
 C38A C43A H43E 109.5 . . ?
 C38A C43A H43F 109.5 . . ?
 H43D C43A H43E 109.5 . . ?
 H43D C43A H43F 109.5 . . ?
 H43E C43A H43F 109.5 . . ?
 C39A C44A H44D 109.5 . . ?
 C39A C44A H44E 109.5 . . ?
 C39A C44A H44F 109.5 . . ?
 H44D C44A H44E 109.5 . . ?
 H44D C44A H44F 109.5 . . ?
 H44E C44A H44F 109.5 . . ?
 C40A C45A H45D 109.5 . . ?
 C40A C45A H45E 109.5 . . ?
 C40A C45A H45F 109.5 . . ?
 H45D C45A H45E 109.5 . . ?
 H45D C45A H45F 109.5 . . ?
 H45E C45A H45F 109.5 . . ?
 C41A C46A H46D 109.5 . . ?
 C41A C46A H46E 109.5 . . ?
 C41A C46A H46F 109.5 . . ?
 H46D C46A H46E 109.5 . . ?
 H46D C46A H46F 109.5 . . ?
 H46E C46A H46F 109.5 . . ?
 C42A C47A H47D 109.5 . . ?
 C42A C47A H47E 109.5 . . ?
 C42A C47A H47F 109.5 . . ?
 H47D C47A H47E 109.5 . . ?
 H47D C47A H47F 109.5 . . ?
 H47E C47A H47F 109.5 . . ?
 C2 N1 Dy1 116.4(4) . . ?
 C6 N1 Dy1 126.3(5) . . ?
 C6 N1 C2 117.1(6) . . ?
 C2 N3 Dy1 116.4(4) . 2_766 ?
 C4 N3 Dy1 125.8(5) . 2_766 ?
 C4 N3 C2 117.5(6) . . ?
 C0aa C1B B1 123.3(7) . . ?
 C1aa C1B C0aa 114.7(7) . . ?
 C1aa C1B B1 121.6(6) . . ?
 C2S C1S C6S 118.4(8) . . ?
 C2S C1S C7S 122.7(9) . . ?
 C6S C1S C7S 118.9(9) . . ?
 N1 C2 C2 118.3(8) . 2_766 ?
 N3 C2 N1 122.0(6) . . ?
 N3 C2 C2 119.7(8) . 2_766 ?
 C1B C0aa H2B 118.6 . . ?
 C3B C0aa C1B 122.7(7) . . ?
 C3B C0aa H2B 118.6 . . ?
 C1S C2S H2S 119.3 . . ?
 C1S C2S C3S 121.4(9) . . ?
 C3S C2S H2S 119.3 . . ?
 C0aa C3B H3B 120.0 . . ?
 C3aa C3B C0aa 119.9(7) . . ?
 C3aa C3B H3B 120.0 . . ?
 C2S C3S H3S 119.8 . . ?
 C2S C3S C4S 120.4(9) . . ?
 C4S C3S H3S 119.8 . . ?
 N3 C4 H4 117.9 . . ?
 N3 C4 C5 124.2(7) . . ?
 C5 C4 H4 117.9 . . ?
 C3B C3aa H4B 119.9 . . ?
 C2aa C3aa C3B 120.1(7) . . ?
 C2aa C3aa H4B 119.9 . . ?
 C3S C4S H4S 120.6 . . ?
 C5S C4S C3S 118.7(9) . . ?
 C5S C4S H4S 120.6 . . ?
 C4 C5 C6 114.7(7) . . ?
 C4 C5 C7 123.1(7) . . ?
 C6 C5 C7 122.2(7) . . ?
 C3aa C2aa H5B 120.1 . . ?
 C3aa C2aa C1aa 119.8(7) . . ?
 C1aa C2aa H5B 120.1 . . ?
 C4S C5S H5S 120.3 . . ?
 C6S C5S C4S 119.4(9) . . ?
 C6S C5S H5S 120.3 . . ?
 N1 C6 C5 124.5(7) . . ?
 N1 C6 H6 117.8 . . ?
 C5 C6 H6 117.8 . . ?
 C1B C1aa C2aa 122.7(7) . . ?
 C1B C1aa H6B 118.7 . . ?
 C2aa C1aa H6B 118.7 . . ?
 C1S C6S H6S 119.2 . . ?
 C5S C6S C1S 121.7(9) . . ?
 C5S C6S H6S 119.2 . . ?
 C5 C7 H7A 109.5 . . ?
 C5 C7 H7B 109.5 . . ?
 C5 C7 H7C 109.5 . . ?
 H7A C7 H7B 109.5 . . ?
 H7A C7 H7C 109.5 . . ?
 H7B C7 H7C 109.5 . . ?
 C8B C4aa C12B 113.7(7) . . ?
 C8B C4aa B1 123.5(6) . . ?
 C12B C4aa B1 122.3(7) . . ?
 C1S C7S H7SA 109.5 . . ?
 C1S C7S H7SB 109.5 . . ?
 C1S C7S H7SC 109.5 . . ?
 H7SA C7S H7SB 109.5 . . ?
 H7SA C7S H7SC 109.5 . . ?
 H7SB C7S H7SC 109.5 . . ?
 C9 C8 Dy1 74.0(4) . . ?
 C9 C8 C13 124.5(7) . . ?
 C12 C8 Dy1 73.9(5) . . ?
 C12 C8 C9 107.5(7) . . ?
 C12 C8 C13 127.5(7) . . ?
 C13 C8 Dy1 123.8(5) . . ?
 C4aa C8B H8B 118.3 . . ?
 C9B C8B C4aa 123.3(7) . . ?
 C9B C8B H8B 118.3 . . ?
 C8 C9 Dy1 75.0(4) . . ?
 C8 C9 C14 124.9(7) . . ?
 C10 C9 Dy1 74.6(4) . . ?
 C10 C9 C8 107.9(7) . . ?
 C10 C9 C14 126.8(7) . . ?
 C14 C9 Dy1 121.8(6) . . ?
 C8B C9B H9B 120.0 . . ?
 C10B C9B C8B 120.0(8) . . ?
 C10B C9B H9B 120.0 . . ?
 C9 C10 Dy1 74.5(5) . . ?
 C9 C10 C15 126.5(8) . . ?
 C11 C10 Dy1 74.2(4) . . ?
 C11 C10 C9 107.7(7) . . ?
 C11 C10 C15 125.0(8) . . ?
 C15 C10 Dy1 125.3(6) . . ?
 C9B C10B H10B 120.7 . . ?
 C11B C10B C9B 118.7(8) . . ?
 C11B C10B H10B 120.7 . . ?
 C10 C11 Dy1 74.9(5) . . ?
 C10 C11 C16 126.1(8) . . ?
 C12 C11 Dy1 74.7(4) . . ?
 C12 C11 C10 108.3(7) . . ?
 C12 C11 C16 125.4(8) . . ?
 C16 C11 Dy1 120.4(5) . . ?
 C10B C11B H11B 119.7 . . ?
 C10B C11B C12B 120.7(8) . . ?
 C12B C11B H11B 119.7 . . ?
 C8 C12 Dy1 75.4(5) . . ?
 C8 C12 C17 125.0(7) . . ?
 C11 C12 Dy1 74.6(5) . . ?
 C11 C12 C8 108.6(7) . . ?
 C11 C12 C17 125.6(7) . . ?
 C17 C12 Dy1 124.4(5) . . ?
 C4aa C12B H12B 118.2 . . ?
 C11B C12B C4aa 123.6(8) . . ?
 C11B C12B H12B 118.2 . . ?
 C8 C13 H13A 109.5 . . ?
 C8 C13 H13B 109.5 . . ?
 C8 C13 H13C 109.5 . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.5 . . ?
 C14B C13B C18B 115.2(7) . . ?
 C14B C13B B1 125.2(7) . . ?
 C18B C13B B1 119.6(7) . . ?
 C9 C14 H14A 109.5 . . ?
 C9 C14 H14B 109.5 . . ?
 C9 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C13B C14B H14D 118.5 . . ?
 C15B C14B C13B 123.1(8) . . ?
 C15B C14B H14D 118.5 . . ?
 C10 C15 H15A 109.5 . . ?
 C10 C15 H15B 109.5 . . ?
 C10 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 C14B C15B H15D 119.9 . . ?
 C14B C15B C16B 120.2(8) . . ?
 C16B C15B H15D 119.9 . . ?
 C11 C16 H16A 109.5 . . ?
 C11 C16 H16B 109.5 . . ?
 C11 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 C15B C16B H16D 120.8 . . ?
 C17B C16B C15B 118.4(8) . . ?
 C17B C16B H16D 120.8 . . ?
 C12 C17 H17A 109.5 . . ?
 C12 C17 H17B 109.5 . . ?
 C12 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 C16B C17B H17D 119.7 . . ?
 C16B C17B C18B 120.6(7) . . ?
 C18B C17B H17D 119.7 . . ?
 C13B C18B H18B 118.8 . . ?
 C17B C18B C13B 122.5(7) . . ?
 C17B C18B H18B 118.8 . . ?
 C20B C19B B1 122.9(8) . . ?
 C24B C19B C20B 114.7(8) . . ?
 C24B C19B B1 122.1(7) . . ?
 C19B C20B H20B 119.2 . . ?
 C21B C20B C19B 121.6(11) . . ?
 C21B C20B H20B 119.2 . . ?
 C20B C21B H21B 118.8 . . ?
 C22B C21B C20B 122.4(12) . . ?
 C22B C21B H21B 118.8 . . ?
 C21B C22B H22B 121.1 . . ?
 C21B C22B C23B 117.9(10) . . ?
 C23B C22B H22B 121.1 . . ?
 C22B C23B H23G 119.6 . . ?
 C22B C23B C24B 120.8(11) . . ?
 C24B C23B H23G 119.6 . . ?
 C19B C24B C23B 122.7(10) . . ?
 C19B C24B H24G 118.7 . . ?
 C23B C24B H24G 118.7 . . ?
 C1B B1 C19B 110.7(6) . . ?
 C4aa B1 C1B 103.4(6) . . ?
 C4aa B1 C19B 111.4(6) . . ?
 C13B B1 C1B 114.5(6) . . ?
 C13B B1 C4aa 112.5(6) . . ?
 C13B B1 C19B 104.5(6) . . ?
 C19 C18 Dy1 73.8(9) . . ?
 C19 C18 C22 109.2(13) . . ?
 C19 C18 C23 124.0(16) . . ?
 C22 C18 Dy1 73.9(9) . . ?
 C22 C18 C23 126.8(18) . . ?
 C23 C18 Dy1 120.8(10) . . ?
 C18 C19 Dy1 74.5(8) . . ?
 C18 C19 C20 108.2(13) . . ?
 C18 C19 C24 124.6(15) . . ?
 C20 C19 Dy1 75.8(8) . . ?
 C20 C19 C24 125.8(14) . . ?
 C24 C19 Dy1 126.5(10) . . ?
 C19 C20 Dy1 72.3(8) . . ?
 C19 C20 C25 127.3(14) . . ?
 C21 C20 Dy1 72.5(10) . . ?
 C21 C20 C19 105.3(15) . . ?
 C21 C20 C25 127.2(15) . . ?
 C25 C20 Dy1 122.5(10) . . ?
 C20 C21 Dy1 75.8(10) . . ?
 C20 C21 C26 123.5(16) . . ?
 C22 C21 Dy1 74.4(11) . . ?
 C22 C21 C20 111.2(16) . . ?
 C22 C21 C26 124.6(16) . . ?
 C26 C21 Dy1 124.1(12) . . ?
 C18 C22 Dy1 74.1(9) . . ?
 C18 C22 C27 126.1(16) . . ?
 C21 C22 Dy1 74.3(11) . . ?
 C21 C22 C18 106.0(15) . . ?
 C21 C22 C27 127.6(17) . . ?
 C27 C22 Dy1 122.0(11) . . ?
 C18 C23 H23A 109.5 . . ?
 C18 C23 H23B 109.5 . . ?
 C18 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C19 C24 H24A 109.5 . . ?
 C19 C24 H24B 109.5 . . ?
 C19 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C20 C25 H25A 109.5 . . ?
 C20 C25 H25B 109.5 . . ?
 C20 C25 H25C 109.5 . . ?
 H25A C25 H25B 109.5 . . ?
 H25A C25 H25C 109.5 . . ?
 H25B C25 H25C 109.5 . . ?
 C21 C26 H26A 109.5 . . ?
 C21 C26 H26B 109.5 . . ?
 C21 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C22 C27 H27A 109.5 . . ?
 C22 C27 H27B 109.5 . . ?
 C22 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?
 C19A C18A Dy1 73.2(15) . . ?
 C19A C18A C23A 122(3) . . ?
 C22A C18A Dy1 76.1(16) . . ?
 C22A C18A C19A 106(2) . . ?
 C22A C18A C23A 130(3) . . ?
 C23A C18A Dy1 127.4(16) . . ?
 C18A C19A Dy1 76.5(15) . . ?
 C18A C19A C24A 129(3) . . ?
 C20A C19A Dy1 74.7(16) . . ?
 C20A C19A C18A 109(2) . . ?
 C20A C19A C24A 122(3) . . ?
 C24A C19A Dy1 121.6(17) . . ?
 C19A C20A Dy1 75.6(17) . . ?
 C19A C20A C21A 109(3) . . ?
 C19A C20A C25A 131(3) . . ?
 C21A C20A Dy1 76.8(18) . . ?
 C21A C20A C25A 118(3) . . ?
 C25A C20A Dy1 124.1(18) . . ?
 C20A C21A Dy1 72.4(18) . . ?
 C20A C21A C26A 131(3) . . ?
 C22A C21A Dy1 76.2(16) . . ?
 C22A C21A C20A 105(3) . . ?
 C22A C21A C26A 124(3) . . ?
 C26A C21A Dy1 119(2) . . ?
 C18A C22A Dy1 74.3(15) . . ?
 C18A C22A C27A 121(3) . . ?
 C21A C22A Dy1 74.6(17) . . ?
 C21A C22A C18A 112(3) . . ?
 C21A C22A C27A 127(3) . . ?
 C27A C22A Dy1 119.9(17) . . ?
 C18A C23A H23D 109.5 . . ?
 C18A C23A H23E 109.5 . . ?
 C18A C23A H23F 109.5 . . ?
 H23D C23A H23E 109.5 . . ?
 H23D C23A H23F 109.5 . . ?
 H23E C23A H23F 109.5 . . ?
 C19A C24A H24D 109.5 . . ?
 C19A C24A H24E 109.5 . . ?
 C19A C24A H24F 109.5 . . ?
 H24D C24A H24E 109.5 . . ?
 H24D C24A H24F 109.5 . . ?
 H24E C24A H24F 109.5 . . ?
 C20A C25A H25D 109.5 . . ?
 C20A C25A H25E 109.5 . . ?
 C20A C25A H25F 109.5 . . ?
 H25D C25A H25E 109.5 . . ?
 H25D C25A H25F 109.5 . . ?
 H25E C25A H25F 109.5 . . ?
 C21A C26A H26D 109.5 . . ?
 C21A C26A H26E 109.5 . . ?
 C21A C26A H26F 109.5 . . ?
 H26D C26A H26E 109.5 . . ?
 H26D C26A H26F 109.5 . . ?
 H26E C26A H26F 109.5 . . ?
 C22A C27A H27D 109.5 . . ?
 C22A C27A H27E 109.5 . . ?
 C22A C27A H27F 109.5 . . ?
 H27D C27A H27E 109.5 . . ?
 H27D C27A H27F 109.5 . . ?
 H27E C27A H27F 109.5 . . ?


_olex2_submission_special_instructions  'No special instructions were received'
_vrf_PLAT971_cg004s
;
PROBLEM: Check Calcd Resid. Dens.  0.96A   From Dy1             2.74 eA-3  
RESPONSE: The electron residual is due to Fourier truncation 
near the heavy Gd atoms.
;
