data_m1270_0m
# start Validation Reply Form
_vrf_PLAT973_m1270_0m
;
PROBLEM:  Check Calcd Positive Resid. Density on       Zn1       2.93 eA-3
RESPONSE: The large residual peak of 2.93 electrons per \%A^3^,
 located 0.29 \%A from the zinc atom,
 may be the result of residual absorption errors.
;

_vrf_PLAT420_m1270_0m
;
PROBLEM: D-H Without Acceptor       O1W  --H1WA.     Please Check 
RESPONSE: Highly disordered solvent was located in this structure.
 Reflection contributions from this solvent were removed in the refinement. 
 Thus no H bonding interactions were detected for O1W--H1WA and O1W--H1WB. 
;

# end Validation Reply Form

_audit_creation_date               2020-06-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety           '0.17(C522 H234 N18 O234 Tb18 Zn18)'
_chemical_formula_sum              'C87 H39 N3 O39 Tb3 Zn3'
_chemical_formula_weight           2423.03
_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 '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'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Tb' 'Tb' -0.1723 4.1537
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Zn' 'Zn' 0.2839 1.4301 '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             166
_space_group_name_H-M_alt          'R -3 m'
_space_group_name_Hall             '-R 3 2"'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 'y, x, -z'
 'x-y, -y, -z'
 '-x, -x+y, -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'
 'y+2/3, x+1/3, -z+1/3'
 'x-y+2/3, -y+1/3, -z+1/3'
 '-x+2/3, -x+y+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'
 'y+1/3, x+2/3, -z+2/3'
 'x-y+1/3, -y+2/3, -z+2/3'
 '-x+1/3, -x+y+2/3, -z+2/3'
 '-x, -y, -z'
 'y, -x+y, -z'
 'x-y, x, -z'
 '-y, -x, z'
 '-x+y, y, z'
 'x, x-y, 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'
 '-y+2/3, -x+1/3, z+1/3'
 '-x+y+2/3, y+1/3, z+1/3'
 'x+2/3, x-y+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'
 '-y+1/3, -x+2/3, z+2/3'
 '-x+y+1/3, y+2/3, z+2/3'
 'x+1/3, x-y+2/3, z+2/3'

_cell_length_a                     47.9295(17)
_cell_length_b                     47.9295(17)
_cell_length_c                     13.1746(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       26210(2)
_cell_formula_units_Z              6.00012
_cell_measurement_reflns_used      9773
_cell_measurement_temperature      296(2)
_cell_measurement_theta_max        26.226
_cell_measurement_theta_min        2.248
_shelx_estimated_absorpt_T_max     0.778
_shelx_estimated_absorpt_T_min     0.734
_exptl_absorpt_coefficient_mu      1.651
_exptl_absorpt_correction_T_max    0.7457
_exptl_absorpt_correction_T_min    0.6797
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1080 before and 0.0845 after correction. The Ratio of minimum to maximum transmission is 0.9115. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      0.921
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      'not measured'
_exptl_crystal_description         block
_exptl_crystal_F_000               7074
_exptl_crystal_size_max            0.2
_exptl_crystal_size_mid            0.18
_exptl_crystal_size_min            0.16
_exptl_special_details
;
 ? 
;
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1562
_diffrn_reflns_av_unetI/netI       0.0476
_diffrn_reflns_Laue_measured_fraction_full  0.994
_diffrn_reflns_Laue_measured_fraction_max  0.994
_diffrn_reflns_limit_h_max         57
_diffrn_reflns_limit_h_min         -57
_diffrn_reflns_limit_k_max         54
_diffrn_reflns_limit_k_min         -57
_diffrn_reflns_limit_l_max         15
_diffrn_reflns_limit_l_min         -15
_diffrn_reflns_number              109764
_diffrn_reflns_point_group_measured_fraction_full  0.994
_diffrn_reflns_point_group_measured_fraction_max  0.994
_diffrn_reflns_theta_full          25.092
_diffrn_reflns_theta_max           25.092
_diffrn_reflns_theta_min           2.248
_diffrn_ambient_temperature        296.15
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.994
_diffrn_measured_fraction_theta_max  0.994
_diffrn_measurement_device_type    'Bruker D8 VENTURE PHOTON II'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_monochromator    'Helios multilayer optic'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_diffrn_source_source              'Incoatc Ius 3.0 '
_diffrn_source_type                Microfocus
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3593
_reflns_number_total               5374
_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         '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    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           2.725
_refine_diff_density_min           -1.409
_refine_diff_density_rms           0.157
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.064
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       226
_refine_ls_number_reflns           5374
_refine_ls_number_restraints       3
_refine_ls_R_factor_all            0.0948
_refine_ls_R_factor_gt             0.0711
_refine_ls_restrained_S_all        1.063
_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)+(0.1617P)²+12.3444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2165
_refine_ls_wR_factor_ref           0.2441
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 C18-O2
 1.25 with sigma of 0.001
 C18-O1
 1.25 with sigma of 0.001
 C17-C18
 1.5 with sigma of 0.001
3. Others
 Fixed Sof: C13(0.2) H13(0.2) C14(0.2) H14(0.2) C16(0.15) H16(0.15) C17(0.1)
 C17B(0.4) C16B(0.35) H16B(0.35) C13B(0.3) H13B(0.3) C14B(0.3) H14B(0.3)
 C18(0.5) O2(0.5) H1WA(0.5) H1WB(0.5)
4.a Rotating group:
 O1W(H1WA,H1WB)
4.b :
 C13(C14,C16,C17,C17B,C16B,C13B,C14B)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C10(H10), C13(H13), C14(H14), C16(H16), C16B(H16B),
 C13B(H13B), C14B(H14B)
;
_atom_sites_solution_hydrogens     mixed
_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
 C1 C 0.47608(19) 0.61334(19) 0.4316(5) 0.0395(17) Uani 1 1 d . . . . .
 C2 C 0.49647(17) 0.6486(2) 0.4352(5) 0.0402(17) Uani 1 1 d . . . . .
 C3 C 0.5156(2) 0.6653(2) 0.5208(6) 0.059(2) Uani 1 1 d . . . . .
 H3 H 0.515384 0.653703 0.577727 0.071 Uiso 1 1 calc R . . . .
 C4 C 0.5338(2) 0.6970(2) 0.5212(6) 0.053(2) Uani 1 1 d . . . . .
 H4 H 0.546951 0.707026 0.577043 0.063 Uiso 1 1 calc R . . . .
 C5 C 0.53400(17) 0.71590(19) 0.4414(5) 0.0426(18) Uani 1 1 d . . . . .
 C6 C 0.51581(17) 0.70028(19) 0.3556(5) 0.0408(17) Uani 1 1 d . . . . .
 C7 C 0.49732(18) 0.66770(18) 0.3551(5) 0.0388(17) Uani 1 1 d . . . . .
 H7 H 0.484638 0.657748 0.298456 0.047 Uiso 1 1 calc R . . . .
 C8 C 0.5183(2) 0.7195(2) 0.2600(5) 0.050(2) Uani 1 1 d . . . . .
 C9 C 0.55279(17) 0.75168(19) 0.4496(5) 0.0388(17) Uani 1 1 d . . . . .
 C10 C 0.58447(15) 0.76732(18) 0.4802(5) 0.0353(16) Uani 1 1 d . . . . .
 H10 H 0.595254 0.755924 0.490239 0.042 Uiso 1 1 calc R . . . .
 C11 C 0.5999(2) 0.79995(11) 0.4956(7) 0.037(2) Uani 1 2 d S T P A .
 C12 C 0.6330(2) 0.81648(11) 0.5318(7) 0.038(2) Uani 1 2 d S T P . .
 C13 C 0.6599(2) 0.82997(12) 0.4673(7) 0.036(6) Uiso 0.4 2 d S T P A 1
 H13 H 0.656409 0.828198 0.397552 0.044 Uiso 0.4 2 calc RS T P A 1
 C14 C 0.6916(2) 0.8458(3) 0.5017(7) 0.022(5) Uiso 0.4 2 d GS T P A 1
 H14 H 0.708697 0.854369 0.455957 0.026 Uiso 0.4 2 calc RS T P A 1
 C16 C 0.6746(3) 0.8373(4) 0.6649(6) 0.033(8) Uiso 0.3 2 d GS T P A 1
 H16 H 0.679708 0.839947 0.733658 0.040 Uiso 0.3 2 calc RS T P A 1
 C17 C 0.6348(3) 0.8174(3) 0.6288(7) 0.020(9) Uiso 0.2 2 d DGS T P A 1
 C17B C 0.6433(2) 0.8316(3) 0.6263(6) 0.024(3) Uiso 0.4 1 d G . . A -1
 C16B C 0.6687(2) 0.8462(3) 0.6620(5) 0.036(4) Uiso 0.35 1 d G . . A -1
 H16B H 0.671812 0.856134 0.724923 0.043 Uiso 0.35 1 calc R . . A -1
 C13B C 0.6598(2) 0.84500(14) 0.4651(7) 0.023(4) Uiso 0.3 1 d G . . A -1
 H13B H 0.655376 0.851561 0.403737 0.027 Uiso 0.3 1 calc R . . A -1
 C14B C 0.6899(2) 0.8589(2) 0.5063(6) 0.020(4) Uiso 0.3 1 d G . . A -1
 H14B H 0.706692 0.875984 0.471889 0.024 Uiso 0.3 1 calc R . . A -1
 C15 C 0.6970(2) 0.84852(11) 0.6003(7) 0.044(3) Uani 1 2 d S T P . .
 C18 C 0.61466(17) 0.7910(2) 0.7023(8) 0.039(4) Uani 0.5 1 d D . . . .
 C19 C 0.7317(2) 0.86586(11) 0.6424(7) 0.045(3) Uani 1 2 d S T P A .
 N1 N 0.5370(2) 0.76849(12) 0.4320(7) 0.054(3) Uani 1 2 d S T P . .
 O1 O 0.59136(15) 0.79568(7) 0.7101(5) 0.0391(17) Uani 1 2 d DS T P A .
 O2 O 0.6179(2) 0.7706(2) 0.7521(8) 0.059(3) Uani 0.5 1 d D . . A .
 O3 O 0.73386(17) 0.86693(8) 0.7365(5) 0.059(2) Uani 1 2 d S T P . .
 O4 O 0.75268(17) 0.87634(8) 0.5782(5) 0.054(2) Uani 1 2 d S T P . .
 O5 O 0.49396(15) 0.71289(17) 0.2133(5) 0.077(2) Uani 1 1 d . . . . .
 O6 O 0.54522(15) 0.74021(17) 0.2321(4) 0.0661(18) Uani 1 1 d . . . . .
 O7 O 0.46442(16) 0.60086(14) 0.3495(4) 0.0621(17) Uani 1 1 d . . . . .
 O8 O 0.47135(14) 0.59753(13) 0.5133(4) 0.0478(13) Uani 1 1 d . . . . .
 O1W O 0.40259(11) 0.59741(11) 0.2920(7) 0.080(3) Uani 1 2 d S T P . .
 H1WA H 0.384000 0.588922 0.342219 0.121 Uiso 0.5 1 d GR . . . .
 H1WB H 0.407119 0.620250 0.276820 0.121 Uiso 0.5 1 d GR . . . .
 Zn1 Zn 0.76772(3) 0.88386(2) 0.83429(7) 0.0376(3) Uani 1 2 d S T P A .
 Tb1 Tb 0.42914(2) 0.57086(2) 0.22544(4) 0.0518(3) Uani 1 2 d S T P . .


_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 1.469(11) . ?
 C1 O7 1.226(9) . ?
 C1 O8 1.270(8) . ?
 C2 C3 1.422(10) . ?
 C2 C7 1.385(10) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.321(12) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.384(10) . ?
 C5 C6 1.395(10) . ?
 C5 C9 1.490(11) . ?
 C6 C7 1.357(11) . ?
 C6 C8 1.530(11) . ?
 C7 H7 0.9300 . ?
 C8 O5 1.212(10) . ?
 C8 O6 1.225(10) . ?
 C8 Tb1 2.774(8) 27 ?
 C9 C10 1.376(9) . ?
 C9 N1 1.374(9) . ?
 C10 H10 0.9300 . ?
 C10 C11 1.370(8) . ?
 C11 C12 1.452(13) . ?
 C12 C13 1.406(12) . ?
 C12 C17 1.281(13) . ?
 C12 C17B 1.401(13) . ?
 C12 C13B 1.593(11) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.391(5) . ?
 C13 C13B 0.724(6) . ?
 C13 C14B 1.503(8) . ?
 C14 H14 0.9300 . ?
 C14 C13B 1.581(5) . ?
 C14 C14B 0.675(2) . ?
 C14 C15 1.318(13) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.720(7) . ?
 C16 C17B 1.472(5) . ?
 C16 C16B 0.6190(19) . ?
 C16 C15 1.262(13) . ?
 C17 C17B 0.593(3) . ?
 C17 C16B 1.580(7) . ?
 C17 C18 1.5001(10) . ?
 C17 C18 1.501(14) 24_565 ?
 C17B C16B 1.157(5) . ?
 C17B C18 2.001(5) . ?
 C16B H16B 0.9300 . ?
 C16B C15 1.539(13) . ?
 C13B H13B 0.9300 . ?
 C13B C14B 1.363(5) . ?
 C14B H14B 0.9300 . ?
 C14B C15 1.437(13) . ?
 C15 C19 1.542(13) . ?
 C18 C18 1.570(16) 24_565 ?
 C18 O1 1.2501(10) . ?
 C18 O2 1.2501(10) . ?
 C19 O3 1.243(12) . ?
 C19 O4 1.214(12) . ?
 O1 Zn1 1.933(6) 31_666 ?
 O3 Zn1 1.907(7) . ?
 O4 Tb1 2.326(7) 9_565 ?
 O5 Tb1 2.501(6) 27 ?
 O6 Tb1 2.407(6) 27 ?
 O7 Tb1 2.273(6) . ?
 O8 Zn1 1.960(5) 14_654 ?
 O1W H1WA 1.0174 . ?
 O1W H1WB 1.0236 . ?
 O1W Tb1 2.372(9) . ?

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
 O7 C1 C2 117.9(6) . . ?
 O7 C1 O8 123.7(7) . . ?
 O8 C1 C2 118.4(6) . . ?
 C3 C2 C1 123.1(7) . . ?
 C7 C2 C1 121.2(6) . . ?
 C7 C2 C3 115.7(7) . . ?
 C2 C3 H3 119.3 . . ?
 C4 C3 C2 121.4(7) . . ?
 C4 C3 H3 119.3 . . ?
 C3 C4 H4 118.9 . . ?
 C3 C4 C5 122.3(7) . . ?
 C5 C4 H4 118.9 . . ?
 C4 C5 C6 117.8(7) . . ?
 C4 C5 C9 120.0(6) . . ?
 C6 C5 C9 122.2(6) . . ?
 C5 C6 C8 120.3(7) . . ?
 C7 C6 C5 119.6(7) . . ?
 C7 C6 C8 120.0(6) . . ?
 C2 C7 H7 118.5 . . ?
 C6 C7 C2 123.0(6) . . ?
 C6 C7 H7 118.5 . . ?
 C6 C8 Tb1 170.8(5) . 27 ?
 O5 C8 C6 118.9(8) . . ?
 O5 C8 O6 123.1(8) . . ?
 O5 C8 Tb1 64.4(5) . 27 ?
 O6 C8 C6 117.9(7) . . ?
 O6 C8 Tb1 60.0(5) . 27 ?
 C10 C9 C5 121.0(7) . . ?
 C10 C9 N1 120.8(8) . . ?
 N1 C9 C5 118.0(6) . . ?
 C9 C10 H10 120.5 . . ?
 C11 C10 C9 118.9(7) . . ?
 C11 C10 H10 120.5 . . ?
 C10 C11 C10 121.3(8) 24_565 . ?
 C10 C11 C12 119.4(4) 24_565 . ?
 C10 C11 C12 119.3(4) . . ?
 C11 C12 C13B 118.7(7) . . ?
 C13 C12 C11 123.7(9) . . ?
 C13 C12 C17B 107.0(8) . . ?
 C13 C12 C13B 27.0(3) . . ?
 C17 C12 C11 112.5(9) . . ?
 C17 C12 C13 123.8(11) . . ?
 C17 C12 C17B 25.1(3) . . ?
 C17 C12 C13B 120.6(8) . . ?
 C17B C12 C11 125.5(8) . . ?
 C17B C12 C13B 97.0(6) . . ?
 C12 C13 H13 118.1 . . ?
 C12 C13 C14B 116.9(5) . . ?
 C14 C13 C12 123.8(6) . . ?
 C14 C13 H13 118.1 . . ?
 C14 C13 C14B 26.60(5) . . ?
 C13B C13 C12 91.0(5) . . ?
 C13B C13 H13 87.7 . . ?
 C13B C13 C14 91.1(3) . . ?
 C13B C13 C14B 64.9(2) . . ?
 C14B C13 H13 118.0 . . ?
 C13 C14 H14 120.6 . . ?
 C13 C14 C13B 27.2(2) . . ?
 C13B C14 H14 116.0 . . ?
 C14B C14 C13 86.0(3) . . ?
 C14B C14 H14 98.0 . . ?
 C14B C14 C13B 59.08(10) . . ?
 C14B C14 C15 85.9(9) . . ?
 C15 C14 C13 118.8(6) . . ?
 C15 C14 H14 120.6 . . ?
 C15 C14 C13B 116.3(6) . . ?
 C17 C16 H16 119.3 . . ?
 C17B C16 H16 122.5 . . ?
 C17B C16 C17 19.5 . . ?
 C16B C16 H16 98.6 . . ?
 C16B C16 C17 66.64(11) . . ?
 C16B C16 C17B 48.33(9) . . ?
 C16B C16 C15 104.5(9) . . ?
 C15 C16 H16 119.3 . . ?
 C15 C16 C17 121.5(6) . . ?
 C15 C16 C17B 114.7(6) . . ?
 C12 C17 C16 109.5(6) . . ?
 C12 C17 C16B 109.2(5) . . ?
 C12 C17 C18 127.6(11) . 24_565 ?
 C12 C17 C18 127.7(10) . . ?
 C17B C17 C12 88.8(5) . . ?
 C17B C17 C16 56.00(7) . . ?
 C17B C17 C16B 36.40(6) . . ?
 C17B C17 C18 141.9(8) . . ?
 C17B C17 C18 87.1(8) . 24_565 ?
 C16B C17 C16 21.1 . . ?
 C18 C17 C16 110.9(9) . . ?
 C18 C17 C16 110.8(8) 24_565 . ?
 C18 C17 C16B 97.4(8) 24_565 . ?
 C18 C17 C16B 120.4(8) . . ?
 C18 C17 C18 63.1(7) . 24_565 ?
 C12 C17B C16 118.0(6) . . ?
 C12 C17B C18 92.8(7) . . ?
 C16 C17B C18 98.6(7) . . ?
 C17 C17B C12 66.1(4) . . ?
 C17 C17B C16 104.49(6) . . ?
 C17 C17B C16B 125.89(7) . . ?
 C17 C17B C18 27.6(6) . . ?
 C16B C17B C12 131.9(6) . . ?
 C16B C17B C16 23.6 . . ?
 C16B C17B C18 112.9(6) . . ?
 C16 C16B C17 92.28(9) . . ?
 C16 C16B C17B 108.12(10) . . ?
 C16 C16B H16B 106.5 . . ?
 C16 C16B C15 52.6(7) . . ?
 C17 C16B H16B 121.7 . . ?
 C17B C16B C17 17.7 . . ?
 C17B C16B H16B 121.6 . . ?
 C17B C16B C15 116.8(6) . . ?
 C15 C16B C17 113.7(7) . . ?
 C15 C16B H16B 121.6 . . ?
 C12 C13B H13B 123.1 . . ?
 C13 C13B C12 62.0(6) . . ?
 C13 C13B C14 61.64(10) . . ?
 C13 C13B H13B 119.2 . . ?
 C13 C13B C14B 86.41(13) . . ?
 C14 C13B C12 102.1(6) . . ?
 C14 C13B H13B 129.6 . . ?
 C14B C13B C12 113.8(5) . . ?
 C14B C13B C14 25.1 . . ?
 C14B C13B H13B 123.1 . . ?
 C13 C14B H14B 130.7 . . ?
 C14 C14B C13 67.4(2) . . ?
 C14 C14B C13B 95.80(13) . . ?
 C14 C14B H14B 108.7 . . ?
 C14 C14B C15 66.1(8) . . ?
 C13B C14B C13 28.73(19) . . ?
 C13B C14B H14B 118.3 . . ?
 C13B C14B C15 123.4(6) . . ?
 C15 C14B C13 105.0(7) . . ?
 C15 C14B H14B 118.3 . . ?
 C14 C15 C16B 113.0(9) . . ?
 C14 C15 C14B 27.9(3) . . ?
 C14 C15 C19 120.9(8) . . ?
 C16 C15 C14 122.6(10) . . ?
 C16 C15 C16B 22.9(3) . . ?
 C16 C15 C14B 115.4(10) . . ?
 C16 C15 C19 116.5(8) . . ?
 C16B C15 C19 121.6(7) . . ?
 C14B C15 C16B 97.2(9) . . ?
 C14B C15 C19 120.1(7) . . ?
 C17 C18 C17B 10.6(2) . . ?
 C17 C18 C18 58.5(6) . 24_565 ?
 C18 C18 C17B 51.0(4) 24_565 . ?
 O1 C18 C17 99.0(7) . . ?
 O1 C18 C17B 96.1(6) . . ?
 O1 C18 C18 51.1(5) . 24_565 ?
 O1 C18 O2 124.8(7) . . ?
 O2 C18 C17 136.0(8) . . ?
 O2 C18 C17B 136.8(7) . . ?
 O2 C18 C18 147.5(8) . 24_565 ?
 O3 C19 C15 115.2(8) . . ?
 O4 C19 C15 114.7(9) . . ?
 O4 C19 O3 130.1(9) . . ?
 C9 N1 C9 119.1(9) . 24_565 ?
 C18 O1 C18 77.8(9) . 24_565 ?
 C18 O1 Zn1 119.8(5) . 31_666 ?
 C18 O1 Zn1 119.8(5) 24_565 31_666 ?
 C19 O3 Zn1 136.6(7) . . ?
 C19 O4 Tb1 142.1(7) . 9_565 ?
 C8 O5 Tb1 89.7(5) . 27 ?
 C8 O6 Tb1 93.9(5) . 27 ?
 C1 O7 Tb1 162.9(6) . . ?
 C1 O8 Zn1 116.7(5) . 14_654 ?
 H1WA O1W H1WB 103.3 . . ?
 Tb1 O1W H1WA 128.6 . . ?
 Tb1 O1W H1WB 128.2 . . ?
 O1 Zn1 O8 103.01(18) 31_666 29 ?
 O1 Zn1 O8 102.99(18) 31_666 9_565 ?
 O3 Zn1 O1 99.0(3) . 31_666 ?
 O3 Zn1 O8 116.65(17) . 9_565 ?
 O3 Zn1 O8 116.65(17) . 29 ?
 O8 Zn1 O8 114.8(3) 9_565 29 ?
 C8 Tb1 C8 86.4(3) 26_455 11_565 ?
 O4 Tb1 C8 100.3(2) 14_654 26_455 ?
 O4 Tb1 C8 100.3(2) 14_654 11_565 ?
 O4 Tb1 O5 124.92(18) 14_654 11_565 ?
 O4 Tb1 O5 124.92(18) 14_654 26_455 ?
 O4 Tb1 O6 74.18(19) 14_654 26_455 ?
 O4 Tb1 O6 74.18(19) 14_654 11_565 ?
 O4 Tb1 O1W 152.0(3) 14_654 . ?
 O5 Tb1 C8 25.9(2) 11_565 11_565 ?
 O5 Tb1 C8 89.7(3) 11_565 26_455 ?
 O5 Tb1 C8 89.7(3) 26_455 11_565 ?
 O5 Tb1 C8 25.9(2) 26_455 26_455 ?
 O5 Tb1 O5 81.6(4) 26_455 11_565 ?
 O6 Tb1 C8 26.1(2) 26_455 26_455 ?
 O6 Tb1 C8 89.2(2) 26_455 11_565 ?
 O6 Tb1 C8 89.2(2) 11_565 26_455 ?
 O6 Tb1 C8 26.1(2) 11_565 11_565 ?
 O6 Tb1 O5 51.7(2) 11_565 11_565 ?
 O6 Tb1 O5 51.7(2) 26_455 26_455 ?
 O6 Tb1 O5 102.9(2) 11_565 26_455 ?
 O6 Tb1 O5 102.9(2) 26_455 11_565 ?
 O6 Tb1 O6 80.3(3) 26_455 11_565 ?
 O7 Tb1 C8 93.3(2) . 11_565 ?
 O7 Tb1 C8 179.7(2) 22_665 11_565 ?
 O7 Tb1 C8 179.7(2) . 26_455 ?
 O7 Tb1 C8 93.3(2) 22_665 26_455 ?
 O7 Tb1 O4 79.9(2) . 14_654 ?
 O7 Tb1 O4 79.9(2) 22_665 14_654 ?
 O7 Tb1 O5 154.0(2) 22_665 11_565 ?
 O7 Tb1 O5 90.0(2) . 11_565 ?
 O7 Tb1 O5 90.0(2) 22_665 26_455 ?
 O7 Tb1 O5 154.0(2) . 26_455 ?
 O7 Tb1 O6 154.0(2) 22_665 11_565 ?
 O7 Tb1 O6 154.0(2) . 26_455 ?
 O7 Tb1 O6 90.6(2) 22_665 26_455 ?
 O7 Tb1 O6 90.6(2) . 11_565 ?
 O7 Tb1 O7 87.0(3) . 22_665 ?
 O7 Tb1 O1W 79.9(2) . . ?
 O7 Tb1 O1W 79.8(2) 22_665 . ?
 O1W Tb1 C8 100.1(2) . 26_455 ?
 O1W Tb1 C8 100.1(2) . 11_565 ?
 O1W Tb1 O5 74.2(2) . 26_455 ?
 O1W Tb1 O5 74.2(2) . 11_565 ?
 O1W Tb1 O6 125.1(2) . 11_565 ?
 O1W Tb1 O6 125.1(2) . 26_455 ?

_smtbx_masks_special_details       ?
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 0.000 0.000 -0.649 1866.2 106.7 ?
 2 0.000 0.333 -0.563 1726.0 78.4 ?
 3 0.000 0.667 -0.383 1726.0 78.4 ?
 4 0.333 0.667 -0.752 1866.2 106.7 ?
 5 0.333 0.333 -0.495 1726.0 78.4 ?
 6 0.333 1.000 -0.470 1726.0 78.4 ?
 7 0.667 0.333 -0.085 1866.2 106.7 ?
 8 0.667 0.667 -0.804 1726.0 78.4 ?
 9 0.667 0.000 -0.829 1726.0 78.4 ?

_olex2_submission_special_instructions  'No special instructions were received'
