# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_wpl4-104g_a_sq
_database_code_depnum_ccdc_archive 'CCDC 1947629'
loop_
_audit_author_name
_audit_author_address
'Simon Teat'
;Lawrence Berkeley National Laboratory
United States of America
;
_audit_update_record             
;
2019-08-16 deposited with the CCDC.	2019-11-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        LMOF-263
_chemical_name_common            Zn2(tcbpe)(bpy)
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H40 N2 O8 Zn2'
_chemical_formula_weight         1095.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0020
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
H H 0.0000 0.0000
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
N N 0.0076 0.0040
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
O O 0.0132 0.0074
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
Zn Zn 0.2282 1.6718
'XDISP Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.9511(6)
_cell_length_b                   16.5329(7)
_cell_length_c                   20.1599(9)
_cell_angle_alpha                89.937(3)
_cell_angle_beta                 82.221(2)
_cell_angle_gamma                88.827(2)
_cell_volume                     4606.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9681
_cell_measurement_theta_min      2.561
_cell_measurement_theta_max      31.626

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.790
_exptl_crystal_F_000             1124
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.698
_shelx_estimated_absorpt_T_min   0.818
_shelx_estimated_absorpt_T_max   0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_process_details   'SADABS 2014/5 Bruker AXS Madison WI USA'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7749
_diffrn_radiation_type           synchrotron
_diffrn_source                   'Advanced Light Source station 11.3.1'
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       'ω/θ shutterless scans'
_diffrn_detector_area_resol_mean 10.42
_diffrn_reflns_number            52529
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.073
_diffrn_reflns_theta_max         31.643
_diffrn_reflns_theta_full        27.706
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             23761
_reflns_number_gt                16116
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX 2'
_computing_cell_refinement       'Bruker SAINT v8.34a'
_computing_data_reduction        'Bruker SAINT v8.34a'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'
_refine_special_details          
;All non-hydrogen atoms were refined anisotropically. Hydrogen atoms
 were placed geometrically, then constrained and refined using a
 riding model. Dispalcement parameter restrains were used in the
 modeling of the disorder in the bipy.
 Once the modelling of the framework was complete attempts were made
 to locate the solvent molecules (DMA) and water. However, No meaningful
 molecules could be found, in the difference map and so SQUEEZE was used.
 SQUEEZE reported Solvent Accessible Volume of 2361 Ang3 and
 Electrons Found in S.A.V. to be 570. This number of
 electron would equate to around 12 DMA molecules. As this was
 approximated from x-ray data and some could be water the 12 DMA
 have not be included in the chemical formula.,SQUEEZE
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0752P)²+4.5485P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'intrinsic phasing'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         23761
_refine_ls_number_parameters     865
_refine_ls_number_restraints     128
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0607
_refine_ls_wR_factor_ref         0.1779
_refine_ls_wR_factor_gt          0.1584
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Zn1 Zn 0.30356(2) 0.16081(2) 1.02140(2) 0.02049(8) Uani 1 1 d . . . . .
Zn2 Zn 0.09312(2) 0.16323(2) 1.03829(2) 0.01979(8) Uani 1 1 d . . . . .
C1 C 0.1996(2) 0.61946(19) 0.53145(15) 0.0357(7) Uani 1 1 d . . . . .
C2 C 0.2026(3) 0.70034(19) 0.52897(15) 0.0401(7) Uani 1 1 d . . . . .
C3 C 0.2026(2) 0.57362(18) 0.59492(14) 0.0317(6) Uani 1 1 d . . . . .
C4 C 0.1349(3) 0.5122(3) 0.6141(2) 0.0371(10) Uani 0.7 1 d . . P A 1
H4A H 0.0877 0.5005 0.5859 0.044 Uiso 0.7 1 calc R U P A 1
C5 C 0.1357(3) 0.4689(3) 0.6727(2) 0.0371(10) Uani 0.7 1 d . . P A 1
H5A H 0.0880 0.4295 0.6852 0.044 Uiso 0.7 1 calc R U P A 1
C6 C 0.2058(2) 0.4831(2) 0.71262(17) 0.0389(7) Uani 1 1 d . . . . .
C7 C 0.2742(4) 0.5421(4) 0.6952(3) 0.0548(15) Uani 0.7 1 d . . P A 1
H7A H 0.3229 0.5518 0.7228 0.066 Uiso 0.7 1 calc R U P A 1
C8 C 0.2709(4) 0.5860(3) 0.6379(2) 0.0460(12) Uani 0.7 1 d . . P A 1
H8A H 0.3174 0.6268 0.6270 0.055 Uiso 0.7 1 calc R U P A 1
C4' C 0.2564(8) 0.5014(7) 0.5903(5) 0.045(3) Uani 0.3 1 d . . P A 2
H4'A H 0.2914 0.4841 0.5488 0.054 Uiso 0.3 1 calc R U P A 2
C5' C 0.2576(8) 0.4558(7) 0.6472(6) 0.049(3) Uani 0.3 1 d . . P A 2
H5'A H 0.2924 0.4056 0.6445 0.059 Uiso 0.3 1 calc R U P A 2
C7' C 0.1531(7) 0.5549(6) 0.7106(5) 0.034(2) Uani 0.3 1 d . . P A 2
H7'A H 0.1155 0.5738 0.7506 0.040 Uiso 0.3 1 calc R U P A 2
C8' C 0.1526(7) 0.6001(6) 0.6533(5) 0.033(2) Uani 0.3 1 d . . P A 2
H8'A H 0.1172 0.6500 0.6547 0.040 Uiso 0.3 1 calc R U P A 2
C9 C 0.2068(2) 0.4345(2) 0.77449(17) 0.0421(8) Uani 1 1 d . . . . .
C10 C 0.2933(3) 0.4020(3) 0.7904(2) 0.0738(15) Uani 1 1 d . . . . .
H10A H 0.3523 0.4130 0.7627 0.089 Uiso 1 1 calc R U . . .
C11 C 0.2939(3) 0.3533(3) 0.8467(2) 0.0684(14) Uani 1 1 d . . . . .
H11A H 0.3538 0.3324 0.8576 0.082 Uiso 1 1 calc R U . . .
C12 C 0.2092(2) 0.33500(19) 0.88686(16) 0.0352(7) Uani 1 1 d . . . . .
C13 C 0.1235(2) 0.3693(2) 0.87179(17) 0.0403(7) Uani 1 1 d . . . . .
H13A H 0.0647 0.3591 0.9000 0.048 Uiso 1 1 calc R U . . .
C14 C 0.1223(2) 0.4184(2) 0.81584(17) 0.0429(8) Uani 1 1 d . . . . .
H14A H 0.0628 0.4411 0.8060 0.051 Uiso 1 1 calc R U . . .
C15 C 0.2094(2) 0.27654(17) 0.94286(14) 0.0296(6) Uani 1 1 d . . . . .
O1 O 0.29030(15) 0.25109(14) 0.95637(12) 0.0429(6) Uani 1 1 d . . . . .
O2 O 0.12916(14) 0.25490(12) 0.97237(10) 0.0321(4) Uani 1 1 d . . . . .
C16 C 0.1944(2) 0.56882(19) 0.47085(15) 0.0375(7) Uani 1 1 d . . . . .
C17 C 0.2538(3) 0.5018(3) 0.4593(2) 0.0474(11) Uani 0.75 1 d . . P B 1
H17A H 0.2968 0.4885 0.4905 0.057 Uiso 0.75 1 calc R U P B 1
C18 C 0.2530(3) 0.4534(3) 0.4040(2) 0.0459(11) Uani 0.75 1 d . . P B 1
H18A H 0.2967 0.4084 0.3969 0.055 Uiso 0.75 1 calc R U P B 1
C19 C 0.1883(2) 0.4698(2) 0.35804(16) 0.0380(7) Uani 1 1 d . . . . .
C20 C 0.1218(4) 0.5327(3) 0.3729(3) 0.0523(13) Uani 0.75 1 d . . P B 1
H20A H 0.0737 0.5427 0.3445 0.063 Uiso 0.75 1 calc R U P B 1
C21 C 0.1243(4) 0.5809(3) 0.4281(3) 0.0537(13) Uani 0.75 1 d . . P B 1
H21A H 0.0775 0.6233 0.4375 0.064 Uiso 0.75 1 calc R U P B 1
C17' C 0.2722(8) 0.5761(6) 0.4119(5) 0.024(2) Uani 0.25 1 d . . P B 2
H17B H 0.3242 0.6121 0.4128 0.029 Uiso 0.25 1 calc R U P B 2
C18' C 0.2651(8) 0.5282(7) 0.3559(5) 0.027(2) Uani 0.25 1 d . . P B 2
H18B H 0.3104 0.5337 0.3166 0.032 Uiso 0.25 1 calc R U P B 2
C20' C 0.1216(7) 0.4693(7) 0.4128(5) 0.025(2) Uani 0.25 1 d . . P B 2
H20B H 0.0680 0.4346 0.4137 0.030 Uiso 0.25 1 calc R U P B 2
C21' C 0.1281(7) 0.5163(6) 0.4664(5) 0.024(2) Uani 0.25 1 d . . P B 2
H21B H 0.0801 0.5104 0.5041 0.028 Uiso 0.25 1 calc R U P B 2
C22 C 0.1857(2) 0.4174(2) 0.29883(16) 0.0386(7) Uani 1 1 d . . . . .
C23 C 0.0982(2) 0.3987(2) 0.27632(16) 0.0386(7) Uani 1 1 d . . . . .
H23A H 0.0394 0.4211 0.2989 0.046 Uiso 1 1 calc R U . . .
C24 C 0.0955(2) 0.3486(2) 0.22220(15) 0.0361(7) Uani 1 1 d . . . . .
H24A H 0.0350 0.3355 0.2086 0.043 Uiso 1 1 calc R U . . .
C25 C 0.1805(2) 0.31686(19) 0.18726(15) 0.0337(6) Uani 1 1 d . . . . .
C26 C 0.2686(2) 0.3369(2) 0.20861(18) 0.0486(9) Uani 1 1 d . . . . .
H26A H 0.3274 0.3161 0.1849 0.058 Uiso 1 1 calc R U . . .
C27 C 0.2715(2) 0.3859(2) 0.26320(19) 0.0541(10) Uani 1 1 d . . . . .
H27A H 0.3320 0.3985 0.2769 0.065 Uiso 1 1 calc R U . . .
C28 C 0.1789(2) 0.26144(17) 0.12893(14) 0.0287(6) Uani 1 1 d . . . . .
O3 O 0.25851(14) 0.23658(14) 0.09939(11) 0.0390(5) Uani 1 1 d . . . . .
O4 O 0.09742(14) 0.24253(13) 0.11431(10) 0.0325(4) Uani 1 1 d . . . . .
C29 C 0.2043(3) 0.74688(18) 0.46491(15) 0.0372(7) Uani 1 1 d . . . . .
C30 C 0.2710(4) 0.7339(3) 0.4120(2) 0.0390(11) Uani 0.65 1 d . . P C 1
H30A H 0.3192 0.6928 0.4139 0.047 Uiso 0.65 1 calc R U P C 1
C31 C 0.2712(4) 0.7793(3) 0.3544(2) 0.0423(12) Uani 0.65 1 d . . P C 1
H31A H 0.3195 0.7681 0.3175 0.051 Uiso 0.65 1 calc R U P C 1
C32 C 0.2031(2) 0.8408(2) 0.34858(15) 0.0397(7) Uani 1 1 d . . . . .
C33 C 0.1318(5) 0.8523(3) 0.4050(2) 0.0498(15) Uani 0.65 1 d . . P C 1
H33A H 0.0830 0.8929 0.4033 0.060 Uiso 0.65 1 calc R U P C 1
C34 C 0.1307(4) 0.8066(3) 0.4623(2) 0.0475(14) Uani 0.65 1 d . . P C 1
H34A H 0.0815 0.8150 0.4992 0.057 Uiso 0.65 1 calc R U P C 1
C30' C 0.2876(9) 0.8025(7) 0.4401(5) 0.053(3) Uani 0.35 1 d . . P C 2
H30B H 0.3411 0.8069 0.4643 0.063 Uiso 0.35 1 calc R U P C 2
C31' C 0.2846(8) 0.8463(8) 0.3824(5) 0.056(3) Uani 0.35 1 d . . P C 2
H31B H 0.3368 0.8799 0.3655 0.067 Uiso 0.35 1 calc R U P C 2
C33' C 0.1363(8) 0.7891(8) 0.3663(6) 0.058(3) Uani 0.35 1 d . . P C 2
H33B H 0.0859 0.7827 0.3396 0.069 Uiso 0.35 1 calc R U P C 2
C34' C 0.1370(8) 0.7426(7) 0.4242(5) 0.052(3) Uani 0.35 1 d . . P C 2
H34B H 0.0862 0.7055 0.4351 0.062 Uiso 0.35 1 calc R U P C 2
C35 C 0.2018(2) 0.8907(2) 0.28789(15) 0.0396(7) Uani 1 1 d . . . . .
C36 C 0.1151(3) 0.9186(3) 0.26825(18) 0.0543(10) Uani 1 1 d . . . . .
H36A H 0.0558 0.9027 0.2931 0.065 Uiso 1 1 calc R U . . .
C37 C 0.1132(2) 0.9683(2) 0.21388(17) 0.0473(9) Uani 1 1 d . . . . .
H37A H 0.0528 0.9868 0.2021 0.057 Uiso 1 1 calc R U . . .
C38 C 0.1979(2) 0.99168(18) 0.17612(14) 0.0310(6) Uani 1 1 d . . . . .
C39 C 0.2847(2) 0.9603(2) 0.19279(18) 0.0505(9) Uani 1 1 d . . . . .
H39A H 0.3438 0.9733 0.1661 0.061 Uiso 1 1 calc R U . . .
C40 C 0.2860(3) 0.9107(3) 0.24748(18) 0.0538(10) Uani 1 1 d . . . . .
H40A H 0.3462 0.8898 0.2577 0.065 Uiso 1 1 calc R U . . .
C41 C 0.19656(19) 1.04841(17) 0.11852(13) 0.0261(5) Uani 1 1 d . . . . .
O5 O 0.27687(14) 1.06770(13) 0.08715(10) 0.0361(5) Uani 1 1 d . . . . .
O6 O 0.11578(14) 1.07372(13) 0.10479(10) 0.0321(4) Uani 1 1 d . . . . .
C42 C 0.2042(3) 0.75157(19) 0.58973(15) 0.0433(8) Uani 1 1 d . . . . .
C43 C 0.1296(3) 0.7427(3) 0.6482(2) 0.0357(10) Uani 0.7 1 d . . P D 1
H43A H 0.0809 0.7033 0.6483 0.043 Uiso 0.7 1 calc R U P D 1
C44 C 0.1314(3) 0.7928(3) 0.7033(2) 0.0340(9) Uani 0.7 1 d . . P D 1
H44A H 0.0830 0.7891 0.7411 0.041 Uiso 0.7 1 calc R U P D 1
C45 C 0.2086(3) 0.85107(19) 0.70243(15) 0.0407(7) Uani 1 1 d . . . . .
C46 C 0.2702(4) 0.8574(3) 0.6473(2) 0.0397(10) Uani 0.7 1 d . . P D 1
H46A H 0.3193 0.8966 0.6456 0.048 Uiso 0.7 1 calc R U P D 1
C47 C 0.2663(4) 0.8093(3) 0.5918(2) 0.0433(11) Uani 0.7 1 d . . P D 1
H47A H 0.3113 0.8188 0.5529 0.052 Uiso 0.7 1 calc R U P D 1
C43' C 0.1577(9) 0.8200(7) 0.5980(5) 0.039(2) Uani 0.3 1 d . . P D 2
H43B H 0.1236 0.8393 0.5632 0.047 Uiso 0.3 1 calc R U P D 2
C44' C 0.1555(9) 0.8662(6) 0.6554(5) 0.039(2) Uani 0.3 1 d . . P D 2
H44B H 0.1125 0.9118 0.6609 0.047 Uiso 0.3 1 calc R U P D 2
C46' C 0.2965(8) 0.7919(7) 0.6824(5) 0.040(2) Uani 0.3 1 d . . P D 2
H46B H 0.3490 0.7892 0.7079 0.048 Uiso 0.3 1 calc R U P D 2
C47' C 0.2958(8) 0.7438(6) 0.6268(5) 0.037(2) Uani 0.3 1 d . . P D 2
H47B H 0.3481 0.7078 0.6116 0.045 Uiso 0.3 1 calc R U P D 2
C48 C 0.2101(2) 0.90338(19) 0.76131(14) 0.0361(7) Uani 1 1 d . . . . .
C49 C 0.2969(3) 0.9320(2) 0.77937(16) 0.0431(8) Uani 1 1 d . . . . .
H49A H 0.3565 0.9164 0.7535 0.052 Uiso 1 1 calc R U . . .
C50 C 0.2976(2) 0.9821(2) 0.83376(15) 0.0391(7) Uani 1 1 d . . . . .
H50A H 0.3575 1.0000 0.8453 0.047 Uiso 1 1 calc R U . . .
C51 C 0.21125(19) 1.00686(17) 0.87199(13) 0.0268(5) Uani 1 1 d . . . . .
C52 C 0.1244(2) 0.97879(17) 0.85489(14) 0.0283(6) Uani 1 1 d . . . . .
H52A H 0.0650 0.9952 0.8805 0.034 Uiso 1 1 calc R U . . .
C53 C 0.1240(2) 0.92716(19) 0.80087(15) 0.0356(7) Uani 1 1 d . . . . .
H53A H 0.0642 0.9076 0.7905 0.043 Uiso 1 1 calc R U . . .
C54 C 0.21153(18) 1.06188(16) 0.93071(13) 0.0237(5) Uani 1 1 d . . . . .
O7 O 0.29236(14) 1.08219(14) 0.94579(10) 0.0359(5) Uani 1 1 d . . . . .
O8 O 0.13140(13) 1.08404(12) 0.96099(10) 0.0300(4) Uani 1 1 d . . . . .
N1 N 0.44682(14) 0.16282(14) 1.02291(11) 0.0250(5) Uani 1 1 d . . . . .
C55 C 0.4824(5) 0.1791(6) 1.0800(5) 0.0505(18) Uani 0.4 1 d . U P E 1
H55A H 0.4388 0.1859 1.1202 0.061 Uiso 0.4 1 calc R U P E 1
C56 C 0.5806(5) 0.1863(7) 1.0822(5) 0.0541(18) Uani 0.4 1 d . U P E 1
H56A H 0.6032 0.2056 1.1215 0.065 Uiso 0.4 1 calc R U P E 1
C57 C 0.64601(17) 0.16486(17) 1.02605(15) 0.0284(6) Uani 1 1 d . U . . .
C58 C 0.6101(6) 0.1484(6) 0.9686(6) 0.0548(17) Uani 0.4 1 d . U P E 1
H58A H 0.6523 0.1384 0.9283 0.066 Uiso 0.4 1 calc R U P E 1
C59 C 0.5101(6) 0.1465(6) 0.9694(6) 0.0571(19) Uani 0.4 1 d . U P E 1
H59A H 0.4860 0.1325 0.9291 0.068 Uiso 0.4 1 calc R U P E 1
C55' C 0.4921(4) 0.2310(4) 1.0323(4) 0.0610(15) Uani 0.6 1 d . U P E 2
H55B H 0.4547 0.2798 1.0380 0.073 Uiso 0.6 1 calc R U P E 2
C56' C 0.5904(4) 0.2348(4) 1.0343(4) 0.0603(14) Uani 0.6 1 d . U P E 2
H56B H 0.6194 0.2850 1.0413 0.072 Uiso 0.6 1 calc R U P E 2
C58' C 0.6010(3) 0.0963(3) 1.0140(4) 0.0474(13) Uani 0.6 1 d . U P E 2
H58B H 0.6374 0.0472 1.0066 0.057 Uiso 0.6 1 calc R U P E 2
C59' C 0.5021(3) 0.0968(3) 1.0123(4) 0.0485(13) Uani 0.6 1 d . U P E 2
H59B H 0.4726 0.0475 1.0030 0.058 Uiso 0.6 1 calc R U P E 2
C60 C 0.8893(2) 0.2152(2) 1.07307(18) 0.0434(8) Uani 1 1 d . . . . .
H60A H 0.9159 0.2508 1.1024 0.052 Uiso 1 1 calc R U . . .
C61 C 0.7912(2) 0.2175(2) 1.07167(19) 0.0474(9) Uani 1 1 d . . . . .
H61A H 0.7510 0.2543 1.0996 0.057 Uiso 1 1 calc R U . . .
C62 C 0.75072(17) 0.16586(16) 1.02929(14) 0.0241(5) Uani 1 1 d . . . . .
C63 C 0.81274(19) 0.11375(19) 0.99005(15) 0.0329(6) Uani 1 1 d . . . . .
H63A H 0.7879 0.0774 0.9605 0.040 Uiso 1 1 calc R U . . .
C64 C 0.91060(18) 0.11441(19) 0.99371(15) 0.0323(6) Uani 1 1 d . . . . .
H64A H 0.9520 0.0780 0.9663 0.039 Uiso 1 1 calc R U . . .
N2 N 0.94930(14) 0.16398(13) 1.03404(11) 0.0216(4) Uani 1 1 d . . . . .


_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
Zn1 N1 2.004(2) . ?
Zn1 O1 2.008(2) . ?
Zn1 O7 2.0286(19) 1_545 ?
Zn1 O3 2.0349(19) 1_556 ?
Zn1 O5 2.037(2) 1_546 ?
Zn1 Zn2 2.9088(4) . ?
Zn2 N2 2.0196(19) 1_455 ?
Zn2 O4 2.0256(19) 1_556 ?
Zn2 O2 2.040(2) . ?
Zn2 O8 2.0441(18) 1_545 ?
Zn2 O6 2.0441(19) 1_546 ?
C1 C2 1.339(4) . ?
C1 C3 1.491(4) . ?
C1 C16 1.492(4) . ?
C2 C42 1.493(4) . ?
C2 C29 1.500(4) . ?
C3 C8' 1.352(10) . ?
C3 C8 1.389(5) . ?
C3 C4' 1.394(11) . ?
C3 C4 1.419(5) . ?
C4 C5 1.381(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.372(5) . ?
C5 H5A 0.9500 . ?
C6 C7' 1.387(10) . ?
C6 C7 1.390(6) . ?
C6 C5' 1.482(13) . ?
C6 C9 1.485(4) . ?
C7 C8 1.370(7) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C4' C5' 1.374(15) . ?
C4' H4'A 0.9500 . ?
C5' H5'A 0.9500 . ?
C7' C8' 1.376(13) . ?
C7' H7'A 0.9500 . ?
C8' H8'A 0.9500 . ?
C9 C14 1.379(4) . ?
C9 C10 1.387(5) . ?
C10 C11 1.391(5) . ?
C10 H10A 0.9500 . ?
C11 C12 1.378(4) . ?
C11 H11A 0.9500 . ?
C12 C13 1.383(4) . ?
C12 C15 1.486(4) . ?
C13 C14 1.391(4) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 O2 1.253(3) . ?
C15 O1 1.260(3) . ?
C16 C21' 1.293(10) . ?
C16 C17 1.370(5) . ?
C16 C21 1.399(5) . ?
C16 C17' 1.503(10) . ?
C17 C18 1.376(6) . ?
C17 H17A 0.9500 . ?
C18 C19 1.400(5) . ?
C18 H18A 0.9500 . ?
C19 C20' 1.344(10) . ?
C19 C20 1.386(6) . ?
C19 C18' 1.453(11) . ?
C19 C22 1.480(4) . ?
C20 C21 1.375(6) . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C17' C18' 1.395(12) . ?
C17' H17B 0.9500 . ?
C18' H18B 0.9500 . ?
C20' C21' 1.345(13) . ?
C20' H20B 0.9500 . ?
C21' H21B 0.9500 . ?
C22 C23 1.400(4) . ?
C22 C27 1.401(4) . ?
C23 C24 1.376(4) . ?
C23 H23A 0.9500 . ?
C24 C25 1.388(4) . ?
C24 H24A 0.9500 . ?
C25 C26 1.402(4) . ?
C25 C28 1.494(4) . ?
C26 C27 1.373(4) . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9500 . ?
C28 O3 1.249(3) . ?
C28 O4 1.258(3) . ?
O3 Zn1 2.0348(19) 1_554 ?
O4 Zn2 2.0257(19) 1_554 ?
C29 C30 1.332(6) . ?
C29 C34' 1.332(10) . ?
C29 C34 1.417(6) . ?
C29 C30' 1.528(12) . ?
C30 C31 1.380(6) . ?
C30 H30A 0.9500 . ?
C31 C32 1.394(6) . ?
C31 H31A 0.9500 . ?
C32 C33' 1.291(12) . ?
C32 C31' 1.407(11) . ?
C32 C33 1.417(6) . ?
C32 C35 1.477(4) . ?
C33 C34 1.378(7) . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C30' C31' 1.374(13) . ?
C30' H30B 0.9500 . ?
C31' H31B 0.9500 . ?
C33' C34' 1.398(13) . ?
C33' H33B 0.9500 . ?
C34' H34B 0.9500 . ?
C35 C40 1.382(5) . ?
C35 C36 1.392(5) . ?
C36 C37 1.372(5) . ?
C36 H36A 0.9500 . ?
C37 C38 1.378(4) . ?
C37 H37A 0.9500 . ?
C38 C39 1.390(4) . ?
C38 C41 1.494(4) . ?
C39 C40 1.375(5) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
C41 O5 1.257(3) . ?
C41 O6 1.260(3) . ?
O5 Zn1 2.037(2) 1_564 ?
O6 Zn2 2.0441(19) 1_564 ?
C42 C43' 1.292(11) . ?
C42 C47 1.307(6) . ?
C42 C43 1.473(6) . ?
C42 C47' 1.567(11) . ?
C43 C44 1.389(5) . ?
C43 H43A 0.9500 . ?
C44 C45 1.458(5) . ?
C44 H44A 0.9500 . ?
C45 C44' 1.301(10) . ?
C45 C46 1.314(5) . ?
C45 C48 1.472(4) . ?
C45 C46' 1.562(12) . ?
C46 C47 1.381(6) . ?
C46 H46A 0.9500 . ?
C47 H47A 0.9500 . ?
C43' C44' 1.385(13) . ?
C43' H43B 0.9500 . ?
C44' H44B 0.9500 . ?
C46' C47' 1.377(14) . ?
C46' H46B 0.9500 . ?
C47' H47B 0.9500 . ?
C48 C53 1.399(4) . ?
C48 C49 1.402(5) . ?
C49 C50 1.377(4) . ?
C49 H49A 0.9500 . ?
C50 C51 1.394(4) . ?
C50 H50A 0.9500 . ?
C51 C52 1.392(4) . ?
C51 C54 1.494(4) . ?
C52 C53 1.385(4) . ?
C52 H52A 0.9500 . ?
C53 H53A 0.9500 . ?
C54 O8 1.247(3) . ?
C54 O7 1.259(3) . ?
O7 Zn1 2.0286(19) 1_565 ?
O8 Zn2 2.0441(18) 1_565 ?
N1 C59 1.323(11) . ?
N1 C59' 1.324(5) . ?
N1 C55' 1.329(7) . ?
N1 C55 1.344(9) . ?
C55 C56 1.384(10) . ?
C55 H55A 0.9500 . ?
C56 C57 1.396(10) . ?
C56 H56A 0.9500 . ?
C57 C58' 1.344(6) . ?
C57 C58 1.352(10) . ?
C57 C56' 1.376(7) . ?
C57 C62 1.472(3) . ?
C58 C59 1.393(11) . ?
C58 H58A 0.9500 . ?
C59 H59A 0.9500 . ?
C55' C56' 1.381(7) . ?
C55' H55B 0.9500 . ?
C56' H56B 0.9500 . ?
C58' C59' 1.385(6) . ?
C58' H58B 0.9500 . ?
C59' H59B 0.9500 . ?
C60 N2 1.354(3) . ?
C60 C61 1.373(4) . ?
C60 H60A 0.9500 . ?
C61 C62 1.389(4) . ?
C61 H61A 0.9500 . ?
C62 C63 1.379(4) . ?
C63 C64 1.377(3) . ?
C63 H63A 0.9500 . ?
C64 N2 1.328(3) . ?
C64 H64A 0.9500 . ?
N2 Zn2 2.0195(19) 1_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
N1 Zn1 O1 99.36(9) . . ?
N1 Zn1 O7 102.33(9) . 1_545 ?
O1 Zn1 O7 87.85(10) . 1_545 ?
N1 Zn1 O3 99.78(9) . 1_556 ?
O1 Zn1 O3 90.36(10) . 1_556 ?
O7 Zn1 O3 157.81(8) 1_545 1_556 ?
N1 Zn1 O5 96.49(9) . 1_546 ?
O1 Zn1 O5 164.15(9) . 1_546 ?
O7 Zn1 O5 88.58(9) 1_545 1_546 ?
O3 Zn1 O5 87.14(10) 1_556 1_546 ?
N1 Zn1 Zn2 172.28(7) . . ?
O1 Zn1 Zn2 84.30(6) . . ?
O7 Zn1 Zn2 84.52(6) 1_545 . ?
O3 Zn1 Zn2 73.29(6) 1_556 . ?
O5 Zn1 Zn2 79.99(6) 1_546 . ?
N2 Zn2 O4 99.94(8) 1_455 1_556 ?
N2 Zn2 O2 98.14(8) 1_455 . ?
O4 Zn2 O2 88.76(9) 1_556 . ?
N2 Zn2 O8 96.72(8) 1_455 1_545 ?
O4 Zn2 O8 163.30(8) 1_556 1_545 ?
O2 Zn2 O8 87.86(8) . 1_545 ?
N2 Zn2 O6 105.08(8) 1_455 1_546 ?
O4 Zn2 O6 87.01(9) 1_556 1_546 ?
O2 Zn2 O6 156.77(8) . 1_546 ?
O8 Zn2 O6 89.67(8) 1_545 1_546 ?
N2 Zn2 Zn1 170.92(6) 1_455 . ?
O4 Zn2 Zn1 87.22(6) 1_556 . ?
O2 Zn2 Zn1 76.29(6) . . ?
O8 Zn2 Zn1 76.10(5) 1_545 . ?
O6 Zn2 Zn1 80.70(6) 1_546 . ?
C2 C1 C3 122.3(3) . . ?
C2 C1 C16 122.4(3) . . ?
C3 C1 C16 115.3(3) . . ?
C1 C2 C42 122.8(3) . . ?
C1 C2 C29 122.7(3) . . ?
C42 C2 C29 114.5(3) . . ?
C8' C3 C4' 122.3(6) . . ?
C8 C3 C4 115.8(3) . . ?
C8' C3 C1 121.0(5) . . ?
C8 C3 C1 123.6(3) . . ?
C4' C3 C1 116.6(5) . . ?
C4 C3 C1 120.6(3) . . ?
C5 C4 C3 121.9(4) . . ?
C5 C4 H4A 119.0 . . ?
C3 C4 H4A 119.0 . . ?
C6 C5 C4 119.6(4) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C5 C6 C7 120.4(4) . . ?
C7' C6 C5' 114.9(6) . . ?
C5 C6 C9 118.7(3) . . ?
C7' C6 C9 123.2(5) . . ?
C7 C6 C9 120.9(3) . . ?
C5' C6 C9 121.9(5) . . ?
C8 C7 C6 119.3(4) . . ?
C8 C7 H7A 120.3 . . ?
C6 C7 H7A 120.3 . . ?
C7 C8 C3 123.0(4) . . ?
C7 C8 H8A 118.5 . . ?
C3 C8 H8A 118.5 . . ?
C5' C4' C3 118.3(9) . . ?
C5' C4' H4'A 120.9 . . ?
C3 C4' H4'A 120.9 . . ?
C4' C5' C6 121.4(9) . . ?
C4' C5' H5'A 119.3 . . ?
C6 C5' H5'A 119.3 . . ?
C8' C7' C6 123.1(8) . . ?
C8' C7' H7'A 118.5 . . ?
C6 C7' H7'A 118.5 . . ?
C3 C8' C7' 120.0(8) . . ?
C3 C8' H8'A 120.0 . . ?
C7' C8' H8'A 120.0 . . ?
C14 C9 C10 118.8(3) . . ?
C14 C9 C6 121.1(3) . . ?
C10 C9 C6 120.1(3) . . ?
C9 C10 C11 120.2(3) . . ?
C9 C10 H10A 119.9 . . ?
C11 C10 H10A 119.9 . . ?
C12 C11 C10 121.1(3) . . ?
C12 C11 H11A 119.5 . . ?
C10 C11 H11A 119.5 . . ?
C11 C12 C13 118.4(3) . . ?
C11 C12 C15 120.7(3) . . ?
C13 C12 C15 120.8(3) . . ?
C12 C13 C14 120.8(3) . . ?
C12 C13 H13A 119.6 . . ?
C14 C13 H13A 119.6 . . ?
C9 C14 C13 120.7(3) . . ?
C9 C14 H14A 119.7 . . ?
C13 C14 H14A 119.7 . . ?
O2 C15 O1 124.7(3) . . ?
O2 C15 C12 117.7(2) . . ?
O1 C15 C12 117.6(3) . . ?
C15 O1 Zn1 122.62(19) . . ?
C15 O2 Zn2 131.40(19) . . ?
C17 C16 C21 117.0(3) . . ?
C21' C16 C1 123.9(5) . . ?
C17 C16 C1 119.5(3) . . ?
C21 C16 C1 123.2(3) . . ?
C21' C16 C17' 117.1(6) . . ?
C1 C16 C17' 118.9(5) . . ?
C16 C17 C18 122.1(4) . . ?
C16 C17 H17A 118.9 . . ?
C18 C17 H17A 118.9 . . ?
C17 C18 C19 120.5(4) . . ?
C17 C18 H18A 119.8 . . ?
C19 C18 H18A 119.8 . . ?
C20 C19 C18 117.6(3) . . ?
C20' C19 C18' 117.6(6) . . ?
C20' C19 C22 124.1(5) . . ?
C20 C19 C22 121.1(3) . . ?
C18 C19 C22 121.1(3) . . ?
C18' C19 C22 118.3(4) . . ?
C21 C20 C19 120.9(4) . . ?
C21 C20 H20A 119.6 . . ?
C19 C20 H20A 119.6 . . ?
C20 C21 C16 121.4(4) . . ?
C20 C21 H21A 119.3 . . ?
C16 C21 H21A 119.3 . . ?
C18' C17' C16 117.6(8) . . ?
C18' C17' H17B 121.2 . . ?
C16 C17' H17B 121.2 . . ?
C17' C18' C19 119.8(8) . . ?
C17' C18' H18B 120.1 . . ?
C19 C18' H18B 120.1 . . ?
C19 C20' C21' 122.3(9) . . ?
C19 C20' H20B 118.9 . . ?
C21' C20' H20B 118.9 . . ?
C16 C21' C20' 125.5(9) . . ?
C16 C21' H21B 117.3 . . ?
C20' C21' H21B 117.3 . . ?
C23 C22 C27 118.1(3) . . ?
C23 C22 C19 121.3(3) . . ?
C27 C22 C19 120.6(3) . . ?
C24 C23 C22 121.3(3) . . ?
C24 C23 H23A 119.3 . . ?
C22 C23 H23A 119.3 . . ?
C23 C24 C25 120.5(3) . . ?
C23 C24 H24A 119.8 . . ?
C25 C24 H24A 119.8 . . ?
C24 C25 C26 118.5(3) . . ?
C24 C25 C28 121.2(2) . . ?
C26 C25 C28 120.3(3) . . ?
C27 C26 C25 121.3(3) . . ?
C27 C26 H26A 119.4 . . ?
C25 C26 H26A 119.4 . . ?
C26 C27 C22 120.4(3) . . ?
C26 C27 H27A 119.8 . . ?
C22 C27 H27A 119.8 . . ?
O3 C28 O4 125.3(3) . . ?
O3 C28 C25 117.4(2) . . ?
O4 C28 C25 117.3(2) . . ?
C28 O3 Zn1 136.06(18) . 1_554 ?
C28 O4 Zn2 118.08(18) . 1_554 ?
C30 C29 C34 120.1(4) . . ?
C30 C29 C2 122.9(3) . . ?
C34' C29 C2 124.4(5) . . ?
C34 C29 C2 117.0(3) . . ?
C34' C29 C30' 114.1(6) . . ?
C2 C29 C30' 121.5(5) . . ?
C29 C30 C31 121.0(4) . . ?
C29 C30 H30A 119.5 . . ?
C31 C30 H30A 119.5 . . ?
C30 C31 C32 122.3(4) . . ?
C30 C31 H31A 118.8 . . ?
C32 C31 H31A 118.8 . . ?
C33' C32 C31' 121.5(6) . . ?
C31 C32 C33 115.6(4) . . ?
C33' C32 C35 121.1(5) . . ?
C31 C32 C35 123.7(3) . . ?
C31' C32 C35 117.2(5) . . ?
C33 C32 C35 120.7(3) . . ?
C34 C33 C32 122.2(4) . . ?
C34 C33 H33A 118.9 . . ?
C32 C33 H33A 118.9 . . ?
C33 C34 C29 118.6(5) . . ?
C33 C34 H34A 120.7 . . ?
C29 C34 H34A 120.7 . . ?
C31' C30' C29 119.5(9) . . ?
C31' C30' H30B 120.2 . . ?
C29 C30' H30B 120.2 . . ?
C30' C31' C32 119.1(9) . . ?
C30' C31' H31B 120.5 . . ?
C32 C31' H31B 120.5 . . ?
C32 C33' C34' 121.1(9) . . ?
C32 C33' H33B 119.5 . . ?
C34' C33' H33B 119.5 . . ?
C29 C34' C33' 124.2(10) . . ?
C29 C34' H34B 117.9 . . ?
C33' C34' H34B 117.9 . . ?
C40 C35 C36 117.0(3) . . ?
C40 C35 C32 121.7(3) . . ?
C36 C35 C32 121.2(3) . . ?
C37 C36 C35 121.7(3) . . ?
C37 C36 H36A 119.1 . . ?
C35 C36 H36A 119.1 . . ?
C36 C37 C38 120.7(3) . . ?
C36 C37 H37A 119.7 . . ?
C38 C37 H37A 119.7 . . ?
C37 C38 C39 118.1(3) . . ?
C37 C38 C41 121.1(3) . . ?
C39 C38 C41 120.9(3) . . ?
C40 C39 C38 120.8(3) . . ?
C40 C39 H39A 119.6 . . ?
C38 C39 H39A 119.6 . . ?
C39 C40 C35 121.5(3) . . ?
C39 C40 H40A 119.3 . . ?
C35 C40 H40A 119.3 . . ?
O5 C41 O6 124.6(3) . . ?
O5 C41 C38 117.2(2) . . ?
O6 C41 C38 118.2(2) . . ?
C41 O5 Zn1 127.25(18) . 1_564 ?
C41 O6 Zn2 126.32(18) . 1_564 ?
C47 C42 C43 117.3(3) . . ?
C43' C42 C2 122.3(5) . . ?
C47 C42 C2 122.2(4) . . ?
C43 C42 C2 120.3(3) . . ?
C43' C42 C47' 114.9(6) . . ?
C2 C42 C47' 117.3(5) . . ?
C44 C43 C42 118.9(4) . . ?
C44 C43 H43A 120.5 . . ?
C42 C43 H43A 120.5 . . ?
C43 C44 C45 119.2(4) . . ?
C43 C44 H44A 120.4 . . ?
C45 C44 H44A 120.4 . . ?
C46 C45 C44 118.0(3) . . ?
C44' C45 C48 123.5(5) . . ?
C46 C45 C48 123.3(3) . . ?
C44 C45 C48 118.6(3) . . ?
C44' C45 C46' 115.3(6) . . ?
C48 C45 C46' 118.1(5) . . ?
C45 C46 C47 122.6(4) . . ?
C45 C46 H46A 118.7 . . ?
C47 C46 H46A 118.7 . . ?
C42 C47 C46 123.6(4) . . ?
C42 C47 H47A 118.2 . . ?
C46 C47 H47A 118.2 . . ?
C42 C43' C44' 122.7(9) . . ?
C42 C43' H43B 118.6 . . ?
C44' C43' H43B 118.6 . . ?
C45 C44' C43' 123.9(9) . . ?
C45 C44' H44B 118.0 . . ?
C43' C44' H44B 118.0 . . ?
C47' C46' C45 118.1(9) . . ?
C47' C46' H46B 120.9 . . ?
C45 C46' H46B 120.9 . . ?
C46' C47' C42 116.6(9) . . ?
C46' C47' H47B 121.7 . . ?
C42 C47' H47B 121.7 . . ?
C53 C48 C49 117.6(3) . . ?
C53 C48 C45 120.7(3) . . ?
C49 C48 C45 121.7(3) . . ?
C50 C49 C48 121.4(3) . . ?
C50 C49 H49A 119.3 . . ?
C48 C49 H49A 119.3 . . ?
C49 C50 C51 120.5(3) . . ?
C49 C50 H50A 119.7 . . ?
C51 C50 H50A 119.7 . . ?
C52 C51 C50 118.8(3) . . ?
C52 C51 C54 120.4(2) . . ?
C50 C51 C54 120.8(2) . . ?
C53 C52 C51 120.5(3) . . ?
C53 C52 H52A 119.7 . . ?
C51 C52 H52A 119.7 . . ?
C52 C53 C48 121.1(3) . . ?
C52 C53 H53A 119.4 . . ?
C48 C53 H53A 119.4 . . ?
O8 C54 O7 125.1(2) . . ?
O8 C54 C51 117.2(2) . . ?
O7 C54 C51 117.6(2) . . ?
C54 O7 Zn1 121.83(17) . 1_565 ?
C54 O8 Zn2 132.30(17) . 1_565 ?
C59' N1 C55' 116.3(3) . . ?
C59 N1 C55 117.1(5) . . ?
C59 N1 Zn1 122.5(4) . . ?
C59' N1 Zn1 121.8(2) . . ?
C55' N1 Zn1 121.8(3) . . ?
C55 N1 Zn1 120.4(4) . . ?
N1 C55 C56 122.1(8) . . ?
N1 C55 H55A 118.9 . . ?
C56 C55 H55A 118.9 . . ?
C55 C56 C57 119.3(7) . . ?
C55 C56 H56A 120.3 . . ?
C57 C56 H56A 120.3 . . ?
C58' C57 C56' 117.3(3) . . ?
C58 C57 C56 117.9(5) . . ?
C58' C57 C62 121.7(3) . . ?
C58 C57 C62 122.0(5) . . ?
C56' C57 C62 121.0(3) . . ?
C56 C57 C62 120.0(4) . . ?
C57 C58 C59 119.1(9) . . ?
C57 C58 H58A 120.5 . . ?
C59 C58 H58A 120.5 . . ?
N1 C59 C58 123.8(9) . . ?
N1 C59 H59A 118.1 . . ?
C58 C59 H59A 118.1 . . ?
N1 C55' C56' 123.6(5) . . ?
N1 C55' H55B 118.2 . . ?
C56' C55' H55B 118.2 . . ?
C57 C56' C55' 119.2(5) . . ?
C57 C56' H56B 120.4 . . ?
C55' C56' H56B 120.4 . . ?
C57 C58' C59' 120.6(4) . . ?
C57 C58' H58B 119.7 . . ?
C59' C58' H58B 119.7 . . ?
N1 C59' C58' 122.9(4) . . ?
N1 C59' H59B 118.5 . . ?
C58' C59' H59B 118.5 . . ?
N2 C60 C61 122.2(3) . . ?
N2 C60 H60A 118.9 . . ?
C61 C60 H60A 118.9 . . ?
C60 C61 C62 119.8(3) . . ?
C60 C61 H61A 120.1 . . ?
C62 C61 H61A 120.1 . . ?
C63 C62 C61 117.3(2) . . ?
C63 C62 C57 120.3(2) . . ?
C61 C62 C57 122.4(2) . . ?
C64 C63 C62 120.1(3) . . ?
C64 C63 H63A 120.0 . . ?
C62 C63 H63A 120.0 . . ?
N2 C64 C63 122.6(3) . . ?
N2 C64 H64A 118.7 . . ?
C63 C64 H64A 118.7 . . ?
C64 N2 C60 118.0(2) . . ?
C64 N2 Zn2 121.57(17) . 1_655 ?
C60 N2 Zn2 120.42(18) . 1_655 ?

_refine_diff_density_max         1.319
_refine_diff_density_min         -1.378
_refine_diff_density_rms         0.080



_exptl_crystal_recrystallization_method 'Solvothermal synthesis'
_exptl_crystal_preparation       Luminescent
