#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/09/4320934.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4320934
loop_
_publ_author_name
'Giancarlo Francese'
'Francisco M. Romero'
'Antonia Neels'
'Helen Stoeckli-Evans'
'Silvio Decurtins'
_publ_section_title
;
 Crystal Structures and Magnetic Properties of Metal Complexes Bearing
 Four Nitronyl Nitroxide Moieties in the Same Coordination Sphere
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2087
_journal_page_last               2095
_journal_paper_doi               10.1021/ic991236a
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C43 H61.5 Cl2 N12.5 O16 Zn'
_chemical_formula_weight         1145.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.037(12)
_cell_angle_beta                 102.245(11)
_cell_angle_gamma                114.983(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4097(10)
_cell_length_b                   12.9316(13)
_cell_length_c                   21.609(2)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      1.65
_cell_volume                     2755.1(6)
_computing_cell_refinement       'CELL, Stoe & Cie Company, Germany'
_computing_data_collection       'EXPOSE, Stoe & Cie Company, Germany'
_computing_data_reduction        'XRED, Stoe & Cie Company, Germany'
_computing_molecular_graphics    'PLATON97 (Spek, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.932
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type  'IPDS, Stoe & Cie Company, Germany'
_diffrn_measurement_method       'Phi oscillation scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0916
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20406
_diffrn_reflns_theta_full        25.84
_diffrn_reflns_theta_max         25.84
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1198
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.002
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         9916
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1261P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1770
_refine_ls_wR_factor_ref         0.1940
_reflns_number_gt                6354
_reflns_number_total             9916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991236a_3.cif
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2755.1(5)
_cod_original_formula_sum        'C43 H61.50 Cl2 N12.50 O16 Zn'
_cod_database_code               4320934
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.54731(5) 0.72228(4) 0.73769(2) 0.02249(16) Uani 1 1 d . . .
C1 C 0.2465(5) 0.6105(4) 0.6658(2) 0.0296(10) Uani 1 1 d . . .
C2 C 0.1294(6) 0.5857(5) 0.6185(3) 0.0403(12) Uani 1 1 d . . .
H2 H 0.0445 0.5355 0.6226 0.048 Uiso 1 1 calc R . .
C3 C 0.1394(6) 0.6357(5) 0.5658(2) 0.0424(13) Uani 1 1 d . . .
H3 H 0.0613 0.6198 0.5331 0.051 Uiso 1 1 calc R . .
C4 C 0.2641(5) 0.7088(4) 0.5610(2) 0.0344(11) Uani 1 1 d . . .
H4 H 0.2724 0.7438 0.5251 0.041 Uiso 1 1 calc R . .
C5 C 0.3779(5) 0.7308(4) 0.60965(19) 0.0246(9) Uani 1 1 d . . .
C6 C 0.2382(5) 0.5562(4) 0.7227(2) 0.0335(11) Uani 1 1 d . . .
C7 C 0.2826(7) 0.4606(5) 0.8050(3) 0.0489(14) Uani 1 1 d . . .
C8 C 0.1646(7) 0.4869(6) 0.8111(3) 0.0534(15) Uani 1 1 d . . .
C9 C 0.2356(10) 0.3313(6) 0.7742(4) 0.088(3) Uani 1 1 d . . .
H9A H 0.3098 0.3230 0.7633 0.131 Uiso 1 1 calc R . .
H9B H 0.1615 0.3064 0.7352 0.131 Uiso 1 1 calc R . .
H9C H 0.2059 0.2834 0.8048 0.131 Uiso 1 1 calc R . .
C10 C 0.3972(8) 0.5027(8) 0.8646(3) 0.080(2) Uani 1 1 d . . .
H10A H 0.4648 0.4812 0.8559 0.119 Uiso 1 1 calc R . .
H10B H 0.3650 0.4673 0.8990 0.119 Uiso 1 1 calc R . .
H10C H 0.4365 0.5871 0.8780 0.119 Uiso 1 1 calc R . .
C11 C 0.2116(9) 0.5958(7) 0.8652(4) 0.077(2) Uani 1 1 d . . .
H11A H 0.1373 0.6141 0.8647 0.116 Uiso 1 1 calc R . .
H11B H 0.2856 0.6617 0.8578 0.116 Uiso 1 1 calc R . .
H11C H 0.2416 0.5801 0.9070 0.116 Uiso 1 1 calc R . .
C12 C 0.0387(9) 0.3868(8) 0.8157(5) 0.096(3) Uani 1 1 d . . .
H12A H -0.0289 0.4129 0.8175 0.143 Uiso 1 1 calc R . .
H12B H 0.0595 0.3593 0.8546 0.143 Uiso 1 1 calc R . .
H12C H 0.0044 0.3236 0.7779 0.143 Uiso 1 1 calc R . .
C13 C 0.5128(5) 0.8117(4) 0.6068(2) 0.0261(10) Uani 1 1 d . A .
C14 C 0.6866(6) 0.9213(5) 0.5622(3) 0.0524(9) Uani 1 1 d D . .
C15 C 0.7382(7) 0.9608(5) 0.6359(3) 0.0524(9) Uani 1 1 d D A .
C16A C 0.6528(13) 1.0324(10) 0.5392(6) 0.051(3) Uani 0.50 1 d P A 2
H16D H 0.5988 1.0073 0.4942 0.076 Uiso 0.50 1 calc PR A 2
H16E H 0.7369 1.1013 0.5441 0.076 Uiso 0.50 1 calc PR A 2
H16F H 0.6036 1.0510 0.5664 0.076 Uiso 0.50 1 calc PR A 2
C16 C 0.7068(14) 0.9920(10) 0.5155(5) 0.0524(9) Uani 0.50 1 d PD A 1
H16A H 0.6509 0.9442 0.4727 0.079 Uiso 0.50 1 calc PR A 1
H16B H 0.8009 1.0263 0.5160 0.079 Uiso 0.50 1 calc PR A 1
H16C H 0.6825 1.0538 0.5259 0.079 Uiso 0.50 1 calc PR A 1
C17A C 0.7521(14) 0.8975(14) 0.5193(5) 0.067(4) Uani 0.50 1 d P A 2
H17D H 0.7168 0.9091 0.4770 0.100 Uiso 0.50 1 calc PR A 2
H17E H 0.7369 0.8171 0.5154 0.100 Uiso 0.50 1 calc PR A 2
H17F H 0.8481 0.9497 0.5355 0.100 Uiso 0.50 1 calc PR A 2
C17 C 0.7531(12) 0.8294(10) 0.5511(6) 0.0524(9) Uani 0.50 1 d PD A 1
H17A H 0.6970 0.7695 0.5119 0.079 Uiso 0.50 1 calc PR A 1
H17B H 0.7576 0.7931 0.5880 0.079 Uiso 0.50 1 calc PR A 1
H17C H 0.8432 0.8727 0.5469 0.079 Uiso 0.50 1 calc PR A 1
C18A C 0.7274(14) 1.0809(9) 0.6466(6) 0.046(3) Uani 0.50 1 d P A 2
H18D H 0.7482 1.1113 0.6927 0.069 Uiso 0.50 1 calc PR A 2
H18E H 0.6365 1.0664 0.6249 0.069 Uiso 0.50 1 calc PR A 2
H18F H 0.7909 1.1374 0.6287 0.069 Uiso 0.50 1 calc PR A 2
C18 C 0.7933(15) 1.0830(10) 0.6722(6) 0.0524(9) Uani 0.50 1 d PD A 1
H18A H 0.8321 1.0889 0.7177 0.079 Uiso 0.50 1 calc PR A 1
H18B H 0.7213 1.1054 0.6677 0.079 Uiso 0.50 1 calc PR A 1
H18C H 0.8624 1.1346 0.6548 0.079 Uiso 0.50 1 calc PR A 1
C19A C 0.8677(11) 0.9757(12) 0.6768(5) 0.044(3) Uani 0.50 1 d P A 2
H19D H 0.8839 1.0154 0.7207 0.066 Uiso 0.50 1 calc PR A 2
H19E H 0.9400 1.0218 0.6594 0.066 Uiso 0.50 1 calc PR A 2
H19F H 0.8644 0.8996 0.6773 0.066 Uiso 0.50 1 calc PR A 2
C19 C 0.8421(13) 0.9138(12) 0.6542(6) 0.0524(9) Uani 0.50 1 d PD A 1
H19A H 0.8742 0.9278 0.7011 0.079 Uiso 0.50 1 calc PR A 1
H19B H 0.9176 0.9537 0.6372 0.079 Uiso 0.50 1 calc PR A 1
H19C H 0.7998 0.8305 0.6358 0.079 Uiso 0.50 1 calc PR A 1
C20 C 0.7629(5) 0.8268(4) 0.8708(2) 0.0337(11) Uani 1 1 d . . .
C21 C 0.8634(6) 0.8355(5) 0.9236(3) 0.0536(17) Uani 1 1 d . . .
H21 H 0.8949 0.8933 0.9617 0.064 Uiso 1 1 calc R . .
C22 C 0.9153(7) 0.7578(6) 0.9187(3) 0.065(2) Uani 1 1 d . . .
H22 H 0.9830 0.7618 0.9538 0.078 Uiso 1 1 calc R . .
C23 C 0.8679(6) 0.6735(5) 0.8623(3) 0.0517(16) Uani 1 1 d . . .
H23 H 0.9035 0.6204 0.8581 0.062 Uiso 1 1 calc R . .
C24 C 0.7670(5) 0.6694(4) 0.8121(2) 0.0334(11) Uani 1 1 d . . .
C25 C 0.7043(5) 0.9083(4) 0.8735(2) 0.0298(10) Uani 1 1 d . . .
C26 C 0.5470(5) 0.9832(4) 0.8633(2) 0.0313(11) Uani 1 1 d . . .
C27 C 0.6907(5) 1.0855(4) 0.8959(2) 0.0340(11) Uani 1 1 d . . .
C28 C 0.4678(7) 0.9997(5) 0.8023(3) 0.0490(15) Uani 1 1 d . . .
H28A H 0.3813 0.9307 0.7845 0.073 Uiso 1 1 calc R . .
H28B H 0.5181 1.0115 0.7705 0.073 Uiso 1 1 calc R . .
H28C H 0.4536 1.0674 0.8130 0.073 Uiso 1 1 calc R . .
C29 C 0.4598(6) 0.9450(5) 0.9089(3) 0.0428(13) Uani 1 1 d . . .
H29A H 0.3788 0.8730 0.8869 0.064 Uiso 1 1 calc R . .
H29B H 0.4352 1.0055 0.9220 0.064 Uiso 1 1 calc R . .
H29C H 0.5098 0.9322 0.9471 0.064 Uiso 1 1 calc R . .
C30 C 0.7485(8) 1.1656(6) 0.8518(3) 0.0675(19) Uani 1 1 d . . .
H30A H 0.8405 1.2231 0.8745 0.101 Uiso 1 1 calc R . .
H30B H 0.6943 1.2053 0.8397 0.101 Uiso 1 1 calc R . .
H30C H 0.7475 1.1197 0.8130 0.101 Uiso 1 1 calc R . .
C31 C 0.7081(7) 1.1565(5) 0.9614(3) 0.0543(16) Uani 1 1 d . . .
H31A H 0.7968 1.2235 0.9757 0.081 Uiso 1 1 calc R . .
H31B H 0.6987 1.1079 0.9930 0.081 Uiso 1 1 calc R . .
H31C H 0.6397 1.1833 0.9568 0.081 Uiso 1 1 calc R . .
C32 C 0.7149(5) 0.5795(4) 0.7514(2) 0.0307(10) Uani 1 1 d . . .
C33 C 0.6426(5) 0.4909(4) 0.6395(2) 0.0335(11) Uani 1 1 d . . .
C34 C 0.6371(6) 0.3973(4) 0.6797(2) 0.0397(12) Uani 1 1 d . . .
C35 C 0.7659(7) 0.5382(6) 0.6137(3) 0.0532(15) Uani 1 1 d . . .
H35A H 0.7745 0.6083 0.5985 0.080 Uiso 1 1 calc R . .
H35B H 0.7552 0.4796 0.5781 0.080 Uiso 1 1 calc R . .
H35C H 0.8463 0.5567 0.6482 0.080 Uiso 1 1 calc R . .
C36 C 0.5141(6) 0.4593(5) 0.5873(3) 0.0505(16) Uani 1 1 d . . .
H36A H 0.5262 0.5238 0.5658 0.076 Uiso 1 1 calc R . .
H36B H 0.4409 0.4439 0.6068 0.076 Uiso 1 1 calc R . .
H36C H 0.4927 0.3901 0.5558 0.076 Uiso 1 1 calc R . .
C37 C 0.4950(7) 0.3161(5) 0.6815(3) 0.0605(18) Uani 1 1 d . . .
H37A H 0.5004 0.2740 0.7157 0.091 Uiso 1 1 calc R . .
H37B H 0.4455 0.2607 0.6401 0.091 Uiso 1 1 calc R . .
H37C H 0.4488 0.3619 0.6897 0.091 Uiso 1 1 calc R . .
C38 C 0.7112(7) 0.3278(5) 0.6641(3) 0.0577(18) Uani 1 1 d . . .
H38A H 0.7149 0.2815 0.6963 0.087 Uiso 1 1 calc R . .
H38B H 0.8021 0.3813 0.6648 0.087 Uiso 1 1 calc R . .
H38C H 0.6636 0.2765 0.6215 0.087 Uiso 1 1 calc R . .
C39 C 0.8211(17) 0.4948(18) 0.9730(10) 0.102 Uiso 0.50 1 d PD . .
C40 C 0.9520(18) 0.5163(19) 0.9934(10) 0.102 Uiso 0.50 1 d PD . .
H40A H 0.9925 0.5323 0.9581 0.153 Uiso 0.50 1 calc PR . .
H40B H 0.9562 0.4486 1.0070 0.153 Uiso 0.50 1 calc PR . .
H40C H 1.0006 0.5835 1.0296 0.153 Uiso 0.50 1 calc PR . .
C41 C 0.062(6) 0.867(3) 0.782(2) 0.183 Uiso 0.50 1 d PD B 1
C41A C 0.083(4) 0.893(3) 0.7839(16) 0.115 Uiso 0.50 1 d P C 2
C42 C 0.094(3) 0.976(2) 0.8252(13) 0.144 Uiso 0.50 1 d PD B 1
H42A H 0.1164 0.9697 0.8701 0.215 Uiso 0.50 1 calc PR B 1
H42B H 0.0169 0.9917 0.8161 0.215 Uiso 0.50 1 calc PR B 1
H42C H 0.1706 1.0399 0.8180 0.215 Uiso 0.50 1 calc PR B 1
C42A C 0.155(5) 1.013(4) 0.781(2) 0.25(2) Uiso 0.50 1 d P C 2
H42D H 0.1224 1.0594 0.8030 0.379 Uiso 0.50 1 calc PR C 2
H42E H 0.1413 1.0186 0.7356 0.379 Uiso 0.50 1 calc PR C 2
H42F H 0.2505 1.0409 0.8012 0.379 Uiso 0.50 1 calc PR C 2
C43 C 0.3000(9) 0.9804(7) 0.6333(3) 0.070(2) Uani 1 1 d D . .
C44 C 0.1665(10) 0.9576(10) 0.6239(5) 0.107(3) Uani 1 1 d D . .
H44A H 0.1091 0.8895 0.5888 0.161 Uiso 1 1 calc R . .
H44B H 0.1559 1.0246 0.6129 0.161 Uiso 1 1 calc R . .
H44C H 0.1412 0.9427 0.6634 0.161 Uiso 1 1 calc R . .
N1 N 0.3699(4) 0.6826(3) 0.66230(16) 0.0241(8) Uani 1 1 d . . .
N2 N 0.3286(4) 0.5288(3) 0.75498(18) 0.0310(9) Uani 1 1 d . . .
N3 N 0.1341(5) 0.5252(4) 0.7490(2) 0.0453(11) Uani 1 1 d . . .
N4 N 0.6201(4) 0.8812(3) 0.65596(16) 0.0239(8) Uani 1 1 d . . .
N5 N 0.5449(4) 0.8305(3) 0.55043(18) 0.0348(9) Uani 1 1 d . A .
N6 N 0.7138(4) 0.7443(3) 0.81553(17) 0.0277(8) Uani 1 1 d . . .
N7 N 0.5789(4) 0.8858(3) 0.84501(16) 0.0269(8) Uani 1 1 d . . .
N8 N 0.7734(4) 1.0209(4) 0.90731(19) 0.0369(10) Uani 1 1 d . . .
N9 N 0.6659(4) 0.5898(3) 0.69209(17) 0.0273(8) Uani 1 1 d . . .
N10 N 0.7090(4) 0.4726(4) 0.74752(19) 0.0366(10) Uani 1 1 d . . .
N11 N 0.7070(13) 0.4697(11) 0.9533(6) 0.070(3) Uiso 0.50 1 d PD . .
N12A N 0.0910(9) 0.8219(7) 0.7666(4) 0.0300(17) Uiso 0.50 1 d P C 2
N12 N 0.002(2) 0.7872(17) 0.7408(9) 0.108(5) Uiso 0.50 1 d PD B 1
N13 N 0.4070(8) 0.9958(6) 0.6396(3) 0.0820(19) Uani 1 1 d D . .
O1 O 0.4441(3) 0.5491(3) 0.74446(15) 0.0325(7) Uani 1 1 d . . .
O2 O 0.0292(5) 0.5385(5) 0.7308(2) 0.0665(13) Uani 1 1 d . . .
O3 O 0.6279(3) 0.8872(3) 0.71736(14) 0.0279(7) Uani 1 1 d . A .
O4 O 0.4688(4) 0.7760(3) 0.49374(16) 0.0487(10) Uani 1 1 d . . .
O5 O 0.4841(3) 0.7845(3) 0.80917(14) 0.0310(7) Uani 1 1 d . . .
O6 O 0.8962(4) 1.0729(4) 0.9403(2) 0.0606(12) Uani 1 1 d . . .
O7 O 0.6458(3) 0.6770(3) 0.67761(14) 0.0299(7) Uani 1 1 d . . .
O8 O 0.7443(5) 0.4320(3) 0.79515(18) 0.0522(11) Uani 1 1 d . . .
O9 O 0.7073(18) 0.7142(14) 1.0373(8) 0.110(5) Uiso 0.50 1 d P D 1
O9A O 0.7600(15) 0.7610(12) 1.0678(7) 0.091(4) Uiso 0.50 1 d P D 2
O10 O 0.7266(13) 0.9066(10) 1.0323(6) 0.065(3) Uiso 0.50 1 d P D 1
O10A O 0.677(2) 0.8796(17) 1.0105(9) 0.122(6) Uiso 0.50 1 d P D 2
O11 O 0.5879(8) 0.7888(7) 1.0910(3) 0.117(2) Uani 1 1 d . D .
O12A O 0.551(3) 0.671(3) 0.9901(14) 0.219(11) Uiso 0.50 1 d P D 2
O12 O 0.5372(18) 0.7434(16) 0.9769(8) 0.129(5) Uiso 0.50 1 d P D 1
O13 O -0.002(2) 0.3061(16) 0.6080(10) 0.093(6) Uani 0.50 1 d P E 1
O13A O -0.0374(18) 0.2931(18) 0.5741(7) 0.069(4) Uani 0.50 1 d P E 2
O14 O 0.188(2) 0.3443(19) 0.6238(8) 0.101(8) Uani 0.50 1 d P E 1
O14A O 0.207(2) 0.369(2) 0.5998(15) 0.131(12) Uani 0.50 1 d P E 2
O15 O 0.124(2) 0.325(2) 0.5216(10) 0.116(9) Uani 0.50 1 d P E 1
O15A O 0.041(3) 0.253(3) 0.5097(9) 0.166(12) Uani 0.50 1 d P E 2
O16A O 0.084(4) 0.179(2) 0.5926(19) 0.150(13) Uani 0.50 1 d P E 2
O16 O 0.050(2) 0.1589(17) 0.5714(17) 0.112(11) Uani 0.50 1 d P E 1
Cl1 Cl 0.6432(3) 0.7849(2) 1.03738(11) 0.0913(7) Uani 1 1 d . . .
Cl2 Cl 0.07854(15) 0.27547(12) 0.57425(7) 0.0483(4) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
Cl Cl 0.1484 0.1585 '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'
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
O5 Zn1 O3 89.55(13) . . ?
O5 Zn1 O7 169.52(13) . . ?
O3 Zn1 O7 87.44(12) . . ?
O5 Zn1 O1 93.32(14) . . ?
O3 Zn1 O1 171.19(12) . . ?
O7 Zn1 O1 91.15(13) . . ?
O5 Zn1 N1 93.93(14) . . ?
O3 Zn1 N1 86.72(13) . . ?
O7 Zn1 N1 95.91(13) . . ?
O1 Zn1 N1 84.77(13) . . ?
O5 Zn1 N6 85.53(14) . . ?
O3 Zn1 N6 99.32(14) . . ?
O7 Zn1 N6 85.06(14) . . ?
O1 Zn1 N6 89.21(14) . . ?
N1 Zn1 N6 173.92(15) . . ?
N1 C1 C2 122.6(4) . . ?
N1 C1 C6 117.5(4) . . ?
C2 C1 C6 119.8(5) . . ?
C3 C2 C1 118.8(5) . . ?
C2 C3 C4 119.5(5) . . ?
C3 C4 C5 119.3(4) . . ?
N1 C5 C4 122.0(4) . . ?
N1 C5 C13 117.5(4) . . ?
C4 C5 C13 120.5(4) . . ?
N2 C6 N3 109.4(4) . . ?
N2 C6 C1 125.9(5) . . ?
N3 C6 C1 124.7(4) . . ?
C10 C7 N2 109.2(5) . . ?
C10 C7 C9 111.2(6) . . ?
N2 C7 C9 106.1(5) . . ?
C10 C7 C8 115.9(6) . . ?
N2 C7 C8 100.3(4) . . ?
C9 C7 C8 113.0(6) . . ?
N3 C8 C12 109.5(6) . . ?
N3 C8 C11 104.6(5) . . ?
C12 C8 C11 111.2(7) . . ?
N3 C8 C7 101.4(4) . . ?
C12 C8 C7 117.0(6) . . ?
C11 C8 C7 111.9(6) . . ?
N4 C13 N5 108.4(4) . . ?
N4 C13 C5 127.8(4) . . ?
N5 C13 C5 123.7(4) . . ?
C17A C14 C16 65.2(9) . . ?
C17A C14 N5 114.2(7) . . ?
C16 C14 N5 114.7(7) . . ?
C17A C14 C15 128.2(8) . . ?
C16 C14 C15 128.0(7) . . ?
N5 C14 C15 103.5(4) . . ?
C17A C14 C17 43.7(8) . . ?
C16 C14 C17 108.9(8) . . ?
N5 C14 C17 97.1(6) . . ?
C15 C14 C17 99.5(6) . . ?
C17A C14 C16A 105.5(9) . . ?
C16 C14 C16A 40.3(7) . . ?
N5 C14 C16A 98.1(6) . . ?
C15 C14 C16A 102.8(6) . . ?
C17 C14 C16A 149.2(7) . . ?
C19A C15 C18 80.5(9) . . ?
C19A C15 N4 112.7(6) . . ?
C18 C15 N4 110.7(7) . . ?
C19A C15 C14 126.1(7) . . ?
C18 C15 C14 124.5(7) . . ?
N4 C15 C14 101.8(4) . . ?
C19A C15 C19 30.2(5) . . ?
C18 C15 C19 110.4(9) . . ?
N4 C15 C19 104.0(6) . . ?
C14 C15 C19 103.4(6) . . ?
C19A C15 C18A 110.7(8) . . ?
C18 C15 C18A 30.5(6) . . ?
N4 C15 C18A 101.3(6) . . ?
C14 C15 C18A 101.0(6) . . ?
C19 C15 C18A 140.1(8) . . ?
N6 C20 C21 122.7(4) . . ?
N6 C20 C25 116.8(4) . . ?
C21 C20 C25 120.5(4) . . ?
C22 C21 C20 118.4(5) . . ?
C21 C22 C23 120.0(5) . . ?
C24 C23 C22 118.4(5) . . ?
N6 C24 C23 123.0(4) . . ?
N6 C24 C32 117.9(4) . . ?
C23 C24 C32 119.1(4) . . ?
N7 C25 N8 109.0(4) . . ?
N7 C25 C20 127.0(4) . . ?
N8 C25 C20 124.0(4) . . ?
N7 C26 C29 106.2(4) . . ?
N7 C26 C28 108.8(4) . . ?
C29 C26 C28 109.9(5) . . ?
N7 C26 C27 101.1(4) . . ?
C29 C26 C27 114.7(4) . . ?
C28 C26 C27 115.3(4) . . ?
N8 C27 C30 105.6(5) . . ?
N8 C27 C31 108.3(4) . . ?
C30 C27 C31 110.9(5) . . ?
N8 C27 C26 101.6(4) . . ?
C30 C27 C26 114.5(5) . . ?
C31 C27 C26 114.9(4) . . ?
N9 C32 N10 108.7(4) . . ?
N9 C32 C24 126.2(4) . . ?
N10 C32 C24 125.1(4) . . ?
N9 C33 C36 108.9(4) . . ?
N9 C33 C35 105.3(4) . . ?
C36 C33 C35 111.7(5) . . ?
N9 C33 C34 100.2(4) . . ?
C36 C33 C34 115.4(5) . . ?
C35 C33 C34 114.1(4) . . ?
N10 C34 C37 105.3(5) . . ?
N10 C34 C38 108.7(4) . . ?
C37 C34 C38 111.0(5) . . ?
N10 C34 C33 101.2(4) . . ?
C37 C34 C33 113.7(4) . . ?
C38 C34 C33 115.8(5) . . ?
N11 C39 C40 176(2) . . ?
N12 C41 C42 158(6) . . ?
N12A C41A C42A 131(4) . . ?
N13 C43 C44 177.8(10) . . ?
C1 N1 C5 117.7(4) . . ?
C1 N1 Zn1 121.3(3) . . ?
C5 N1 Zn1 121.0(3) . . ?
O1 N2 C6 126.4(4) . . ?
O1 N2 C7 120.4(4) . . ?
C6 N2 C7 113.0(5) . . ?
O2 N3 C6 127.1(5) . . ?
O2 N3 C8 121.1(5) . . ?
C6 N3 C8 111.3(4) . . ?
O3 N4 C13 126.0(4) . . ?
O3 N4 C15 119.9(4) . . ?
C13 N4 C15 114.1(4) . . ?
O4 N5 C13 126.0(4) . . ?
O4 N5 C14 121.9(4) . . ?
C13 N5 C14 112.1(4) . . ?
C24 N6 C20 117.5(4) . . ?
C24 N6 Zn1 120.0(3) . . ?
C20 N6 Zn1 122.4(3) . . ?
O5 N7 C25 125.1(4) . . ?
O5 N7 C26 120.8(4) . . ?
C25 N7 C26 113.8(4) . . ?
O6 N8 C25 126.5(4) . . ?
O6 N8 C27 121.4(4) . . ?
C25 N8 C27 111.8(4) . . ?
O7 N9 C32 126.0(3) . . ?
O7 N9 C33 120.8(3) . . ?
C32 N9 C33 113.1(4) . . ?
O8 N10 C32 125.7(4) . . ?
O8 N10 C34 121.9(4) . . ?
C32 N10 C34 111.9(4) . . ?
N2 O1 Zn1 110.4(2) . . ?
N4 O3 Zn1 111.6(2) . . ?
N7 O5 Zn1 111.4(3) . . ?
N9 O7 Zn1 110.8(2) . . ?
O10A Cl1 O9 123.2(11) . . ?
O10A Cl1 O11 116.1(9) . . ?
O9 Cl1 O11 114.7(7) . . ?
O10A Cl1 O12 77.0(11) . . ?
O9 Cl1 O12 107.9(10) . . ?
O11 Cl1 O12 109.7(8) . . ?
O10A Cl1 O10 23.4(9) . . ?
O9 Cl1 O10 114.4(9) . . ?
O11 Cl1 O10 108.8(6) . . ?
O12 Cl1 O10 100.4(9) . . ?
O10A Cl1 O12A 114.3(14) . . ?
O9 Cl1 O12A 70.9(13) . . ?
O11 Cl1 O12A 107.8(13) . . ?
O12 Cl1 O12A 42.4(11) . . ?
O10 Cl1 O12A 135.3(13) . . ?
O10A Cl1 O9A 115.2(10) . . ?
O9 Cl1 O9A 30.4(7) . . ?
O11 Cl1 O9A 100.8(6) . . ?
O12 Cl1 O9A 137.6(9) . . ?
O10 Cl1 O9A 96.7(8) . . ?
O12A Cl1 O9A 100.9(13) . . ?
O15A Cl2 O14 138.7(17) . . ?
O15A Cl2 O16A 107(2) . . ?
O14 Cl2 O16A 89.7(18) . . ?
O15A Cl2 O14A 111.3(17) . . ?
O14 Cl2 O14A 28.0(14) . . ?
O16A Cl2 O14A 107.5(19) . . ?
O15A Cl2 O16 89.0(19) . . ?
O14 Cl2 O16 109.8(16) . . ?
O16A Cl2 O16 20(2) . . ?
O14A Cl2 O16 124.2(16) . . ?
O15A Cl2 O13A 89.5(14) . . ?
O14 Cl2 O13A 114.8(14) . . ?
O16A Cl2 O13A 119.5(19) . . ?
O14A Cl2 O13A 119.6(14) . . ?
O16 Cl2 O13A 111.6(13) . . ?
O15A Cl2 O13 118.5(15) . . ?
O14 Cl2 O13 89.5(15) . . ?
O16A Cl2 O13 108.0(19) . . ?
O14A Cl2 O13 103.8(15) . . ?
O16 Cl2 O13 110.8(14) . . ?
O13A Cl2 O13 29.0(8) . . ?
O15A Cl2 O15 40.5(13) . . ?
O14 Cl2 O15 99.2(13) . . ?
O16A Cl2 O15 126(2) . . ?
O14A Cl2 O15 71.2(14) . . ?
O16 Cl2 O15 116.6(17) . . ?
O13A Cl2 O15 104.4(11) . . ?
O13 Cl2 O15 124.9(12) . . ?
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 O5 2.063(3) . ?
Zn1 O3 2.073(3) . ?
Zn1 O7 2.075(3) . ?
Zn1 O1 2.083(3) . ?
Zn1 N1 2.136(4) . ?
Zn1 N6 2.146(4) . ?
C1 N1 1.344(6) . ?
C1 C2 1.387(7) . ?
C1 C6 1.481(6) . ?
C2 C3 1.370(8) . ?
C3 C4 1.370(8) . ?
C4 C5 1.384(6) . ?
C5 N1 1.355(5) . ?
C5 C13 1.470(7) . ?
C6 N2 1.315(6) . ?
C6 N3 1.352(7) . ?
C7 C10 1.484(9) . ?
C7 N2 1.508(6) . ?
C7 C9 1.543(9) . ?
C7 C8 1.550(9) . ?
C8 N3 1.501(7) . ?
C8 C12 1.506(9) . ?
C8 C11 1.545(10) . ?
C13 N4 1.324(6) . ?
C13 N5 1.362(6) . ?
C14 C17A 1.394(12) . ?
C14 C16 1.423(11) . ?
C14 N5 1.489(7) . ?
C14 C15 1.524(8) . ?
C14 C17 1.681(12) . ?
C14 C16A 1.731(12) . ?
C15 C19A 1.474(13) . ?
C15 C18 1.482(12) . ?
C15 N4 1.494(7) . ?
C15 C19 1.546(13) . ?
C15 C18A 1.606(12) . ?
C20 N6 1.349(6) . ?
C20 C21 1.391(7) . ?
C20 C25 1.471(7) . ?
C21 C22 1.370(8) . ?
C22 C23 1.382(8) . ?
C23 C24 1.382(7) . ?
C24 N6 1.347(6) . ?
C24 C32 1.479(6) . ?
C25 N7 1.322(6) . ?
C25 N8 1.356(6) . ?
C26 N7 1.490(6) . ?
C26 C29 1.519(7) . ?
C26 C28 1.521(7) . ?
C26 C27 1.555(7) . ?
C27 N8 1.502(6) . ?
C27 C30 1.521(8) . ?
C27 C31 1.528(7) . ?
C32 N9 1.330(6) . ?
C32 N10 1.349(6) . ?
C33 N9 1.510(5) . ?
C33 C36 1.511(7) . ?
C33 C35 1.530(8) . ?
C33 C34 1.551(7) . ?
C34 N10 1.512(6) . ?
C34 C37 1.526(9) . ?
C34 C38 1.528(7) . ?
C39 N11 1.166(15) . ?
C39 C40 1.358(16) . ?
C41 N12 1.138(19) . ?
C41 C42 1.457(19) . ?
C41A N12A 1.01(3) . ?
C41A C42A 1.43(5) . ?
C43 N13 1.126(9) . ?
C43 C44 1.387(11) . ?
N2 O1 1.305(5) . ?
N3 O2 1.267(6) . ?
N4 O3 1.303(4) . ?
N5 O4 1.266(5) . ?
N7 O5 1.312(5) . ?
N8 O6 1.267(6) . ?
N9 O7 1.297(4) . ?
N10 O8 1.270(5) . ?
O9 Cl1 1.392(16) . ?
O9A Cl1 1.524(13) . ?
O10 Cl1 1.487(12) . ?
O10A Cl1 1.354(19) . ?
O11 Cl1 1.437(7) . ?
O12A Cl1 1.49(3) . ?
O12 Cl1 1.446(17) . ?
O13 Cl2 1.441(18) . ?
O13A Cl2 1.433(19) . ?
O14 Cl2 1.341(15) . ?
O14A Cl2 1.39(2) . ?
O15 Cl2 1.451(14) . ?
O15A Cl2 1.330(18) . ?
O16A Cl2 1.37(3) . ?
O16 Cl2 1.39(2) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 0.6(8) . . . . ?
C6 C1 C2 C3 -179.1(5) . . . . ?
C1 C2 C3 C4 -0.2(8) . . . . ?
C2 C3 C4 C5 0.1(8) . . . . ?
C3 C4 C5 N1 -0.4(7) . . . . ?
C3 C4 C5 C13 -178.2(4) . . . . ?
N1 C1 C6 N2 -30.7(7) . . . . ?
C2 C1 C6 N2 149.0(5) . . . . ?
N1 C1 C6 N3 150.4(5) . . . . ?
C2 C1 C6 N3 -29.9(7) . . . . ?
C10 C7 C8 N3 137.1(6) . . . . ?
N2 C7 C8 N3 19.7(5) . . . . ?
C9 C7 C8 N3 -92.9(6) . . . . ?
C10 C7 C8 C12 -103.9(8) . . . . ?
N2 C7 C8 C12 138.7(6) . . . . ?
C9 C7 C8 C12 26.1(8) . . . . ?
C10 C7 C8 C11 26.0(7) . . . . ?
N2 C7 C8 C11 -91.4(6) . . . . ?
C9 C7 C8 C11 156.1(5) . . . . ?
N1 C5 C13 N4 -30.2(6) . . . . ?
C4 C5 C13 N4 147.6(5) . . . . ?
N1 C5 C13 N5 153.1(4) . . . . ?
C4 C5 C13 N5 -29.1(6) . . . . ?
C17A C14 C15 C19A -3.4(14) . . . . ?
C16 C14 C15 C19A -89.9(13) . . . . ?
N5 C14 C15 C19A 133.0(8) . . . . ?
C17 C14 C15 C19A 33.3(10) . . . . ?
C16A C14 C15 C19A -125.3(9) . . . . ?
C17A C14 C15 C18 101.2(14) . . . . ?
C16 C14 C15 C18 14.7(15) . . . . ?
N5 C14 C15 C18 -122.4(9) . . . . ?
C17 C14 C15 C18 137.9(10) . . . . ?
C16A C14 C15 C18 -20.7(11) . . . . ?
C17A C14 C15 N4 -133.3(10) . . . . ?
C16 C14 C15 N4 140.3(10) . . . . ?
N5 C14 C15 N4 3.1(6) . . . . ?
C17 C14 C15 N4 -96.6(6) . . . . ?
C16A C14 C15 N4 104.8(6) . . . . ?
C17A C14 C15 C19 -25.6(12) . . . . ?
C16 C14 C15 C19 -112.1(11) . . . . ?
N5 C14 C15 C19 110.8(7) . . . . ?
C17 C14 C15 C19 11.1(8) . . . . ?
C16A C14 C15 C19 -147.5(7) . . . . ?
C17A C14 C15 C18A 122.6(11) . . . . ?
C16 C14 C15 C18A 36.1(12) . . . . ?
N5 C14 C15 C18A -101.0(6) . . . . ?
C17 C14 C15 C18A 159.3(7) . . . . ?
C16A C14 C15 C18A 0.7(8) . . . . ?
N6 C20 C21 C22 0.8(10) . . . . ?
C25 C20 C21 C22 -179.8(6) . . . . ?
C20 C21 C22 C23 0.2(12) . . . . ?
C21 C22 C23 C24 -0.9(12) . . . . ?
C22 C23 C24 N6 0.7(10) . . . . ?
C22 C23 C24 C32 -179.8(6) . . . . ?
N6 C20 C25 N7 32.0(8) . . . . ?
C21 C20 C25 N7 -147.4(6) . . . . ?
N6 C20 C25 N8 -148.5(5) . . . . ?
C21 C20 C25 N8 32.1(8) . . . . ?
N7 C26 C27 N8 -15.6(4) . . . . ?
C29 C26 C27 N8 98.2(4) . . . . ?
C28 C26 C27 N8 -132.6(4) . . . . ?
N7 C26 C27 C30 97.7(5) . . . . ?
C29 C26 C27 C30 -148.5(5) . . . . ?
C28 C26 C27 C30 -19.4(6) . . . . ?
N7 C26 C27 C31 -132.2(4) . . . . ?
C29 C26 C27 C31 -18.4(6) . . . . ?
C28 C26 C27 C31 110.7(5) . . . . ?
N6 C24 C32 N9 30.0(8) . . . . ?
C23 C24 C32 N9 -149.5(6) . . . . ?
N6 C24 C32 N10 -149.8(5) . . . . ?
C23 C24 C32 N10 30.7(8) . . . . ?
N9 C33 C34 N10 -20.6(5) . . . . ?
C36 C33 C34 N10 -137.3(4) . . . . ?
C35 C33 C34 N10 91.4(5) . . . . ?
N9 C33 C34 C37 91.8(5) . . . . ?
C36 C33 C34 C37 -24.9(6) . . . . ?
C35 C33 C34 C37 -156.2(5) . . . . ?
N9 C33 C34 C38 -137.9(5) . . . . ?
C36 C33 C34 C38 105.4(6) . . . . ?
C35 C33 C34 C38 -25.9(6) . . . . ?
C2 C1 N1 C5 -0.9(6) . . . . ?
C6 C1 N1 C5 178.8(4) . . . . ?
C2 C1 N1 Zn1 178.1(4) . . . . ?
C6 C1 N1 Zn1 -2.1(5) . . . . ?
C4 C5 N1 C1 0.8(6) . . . . ?
C13 C5 N1 C1 178.6(4) . . . . ?
C4 C5 N1 Zn1 -178.3(3) . . . . ?
C13 C5 N1 Zn1 -0.4(5) . . . . ?
O5 Zn1 N1 C1 -56.8(3) . . . . ?
O3 Zn1 N1 C1 -146.1(3) . . . . ?
O7 Zn1 N1 C1 126.8(3) . . . . ?
O1 Zn1 N1 C1 36.2(3) . . . . ?
N6 Zn1 N1 C1 27.8(15) . . . . ?
O5 Zn1 N1 C5 122.2(3) . . . . ?
O3 Zn1 N1 C5 32.8(3) . . . . ?
O7 Zn1 N1 C5 -54.2(3) . . . . ?
O1 Zn1 N1 C5 -144.9(3) . . . . ?
N6 Zn1 N1 C5 -153.2(12) . . . . ?
N3 C6 N2 O1 -177.8(4) . . . . ?
C1 C6 N2 O1 3.1(7) . . . . ?
N3 C6 N2 C7 6.6(6) . . . . ?
C1 C6 N2 C7 -172.5(4) . . . . ?
C10 C7 N2 O1 44.4(7) . . . . ?
C9 C7 N2 O1 -75.5(7) . . . . ?
C8 C7 N2 O1 166.7(4) . . . . ?
C10 C7 N2 C6 -139.7(6) . . . . ?
C9 C7 N2 C6 100.4(6) . . . . ?
C8 C7 N2 C6 -17.4(6) . . . . ?
N2 C6 N3 O2 179.8(5) . . . . ?
C1 C6 N3 O2 -1.1(9) . . . . ?
N2 C6 N3 C8 8.2(6) . . . . ?
C1 C6 N3 C8 -172.7(5) . . . . ?
C12 C8 N3 O2 45.2(8) . . . . ?
C11 C8 N3 O2 -74.1(7) . . . . ?
C7 C8 N3 O2 169.5(5) . . . . ?
C12 C8 N3 C6 -142.7(6) . . . . ?
C11 C8 N3 C6 98.1(6) . . . . ?
C7 C8 N3 C6 -18.4(6) . . . . ?
N5 C13 N4 O3 -179.5(4) . . . . ?
C5 C13 N4 O3 3.4(7) . . . . ?
N5 C13 N4 C15 2.6(5) . . . . ?
C5 C13 N4 C15 -174.5(4) . . . . ?
C19A C15 N4 O3 40.5(8) . . . . ?
C18 C15 N4 O3 -47.5(9) . . . . ?
C14 C15 N4 O3 178.2(4) . . . . ?
C19 C15 N4 O3 71.0(7) . . . . ?
C18A C15 N4 O3 -77.8(7) . . . . ?
C19A C15 N4 C13 -141.5(7) . . . . ?
C18 C15 N4 C13 130.5(8) . . . . ?
C14 C15 N4 C13 -3.7(6) . . . . ?
C19 C15 N4 C13 -110.9(6) . . . . ?
C18A C15 N4 C13 100.2(6) . . . . ?
N4 C13 N5 O4 176.9(4) . . . . ?
C5 C13 N5 O4 -5.9(7) . . . . ?
N4 C13 N5 C14 -0.2(5) . . . . ?
C5 C13 N5 C14 177.0(4) . . . . ?
C17A C14 N5 O4 -35.7(10) . . . . ?
C16 C14 N5 O4 36.9(9) . . . . ?
C15 C14 N5 O4 -179.3(5) . . . . ?
C17 C14 N5 O4 -77.7(6) . . . . ?
C16A C14 N5 O4 75.4(7) . . . . ?
C17A C14 N5 C13 141.6(9) . . . . ?
C16 C14 N5 C13 -145.8(7) . . . . ?
C15 C14 N5 C13 -2.0(6) . . . . ?
C17 C14 N5 C13 99.6(6) . . . . ?
C16A C14 N5 C13 -107.3(6) . . . . ?
C23 C24 N6 C20 0.2(8) . . . . ?
C32 C24 N6 C20 -179.3(5) . . . . ?
C23 C24 N6 Zn1 -175.4(5) . . . . ?
C32 C24 N6 Zn1 5.1(6) . . . . ?
C21 C20 N6 C24 -0.9(8) . . . . ?
C25 C20 N6 C24 179.6(5) . . . . ?
C21 C20 N6 Zn1 174.6(5) . . . . ?
C25 C20 N6 Zn1 -4.9(6) . . . . ?
O5 Zn1 N6 C24 145.9(4) . . . . ?
O3 Zn1 N6 C24 -125.3(4) . . . . ?
O7 Zn1 N6 C24 -38.7(4) . . . . ?
O1 Zn1 N6 C24 52.5(4) . . . . ?
N1 Zn1 N6 C24 60.8(15) . . . . ?
O5 Zn1 N6 C20 -29.4(4) . . . . ?
O3 Zn1 N6 C20 59.4(4) . . . . ?
O7 Zn1 N6 C20 145.9(4) . . . . ?
O1 Zn1 N6 C20 -122.8(4) . . . . ?
N1 Zn1 N6 C20 -114.6(13) . . . . ?
N8 C25 N7 O5 -179.0(4) . . . . ?
C20 C25 N7 O5 0.6(7) . . . . ?
N8 C25 N7 C26 -6.0(5) . . . . ?
C20 C25 N7 C26 173.5(4) . . . . ?
C29 C26 N7 O5 67.6(5) . . . . ?
C28 C26 N7 O5 -50.6(6) . . . . ?
C27 C26 N7 O5 -172.4(4) . . . . ?
C29 C26 N7 C25 -105.7(5) . . . . ?
C28 C26 N7 C25 136.1(5) . . . . ?
C27 C26 N7 C25 14.3(5) . . . . ?
N7 C25 N8 O6 -179.6(5) . . . . ?
C20 C25 N8 O6 0.8(8) . . . . ?
N7 C25 N8 C27 -5.8(6) . . . . ?
C20 C25 N8 C27 174.7(4) . . . . ?
C30 C27 N8 O6 68.4(6) . . . . ?
C31 C27 N8 O6 -50.4(6) . . . . ?
C26 C27 N8 O6 -171.8(5) . . . . ?
C30 C27 N8 C25 -105.8(5) . . . . ?
C31 C27 N8 C25 135.4(5) . . . . ?
C26 C27 N8 C25 14.0(5) . . . . ?
N10 C32 N9 O7 174.2(4) . . . . ?
C24 C32 N9 O7 -5.6(8) . . . . ?
N10 C32 N9 C33 -9.7(6) . . . . ?
C24 C32 N9 C33 170.4(5) . . . . ?
C36 C33 N9 O7 -42.2(6) . . . . ?
C35 C33 N9 O7 77.7(5) . . . . ?
C34 C33 N9 O7 -163.7(4) . . . . ?
C36 C33 N9 C32 141.5(5) . . . . ?
C35 C33 N9 C32 -98.6(5) . . . . ?
C34 C33 N9 C32 20.1(5) . . . . ?
N9 C32 N10 O8 -178.1(5) . . . . ?
C24 C32 N10 O8 1.7(8) . . . . ?
N9 C32 N10 C34 -5.9(6) . . . . ?
C24 C32 N10 C34 174.0(5) . . . . ?
C37 C34 N10 O8 71.8(6) . . . . ?
C38 C34 N10 O8 -47.2(7) . . . . ?
C33 C34 N10 O8 -169.6(5) . . . . ?
C37 C34 N10 C32 -100.8(5) . . . . ?
C38 C34 N10 C32 140.2(5) . . . . ?
C33 C34 N10 C32 17.8(6) . . . . ?
C6 N2 O1 Zn1 48.9(5) . . . . ?
C7 N2 O1 Zn1 -135.7(4) . . . . ?
O5 Zn1 O1 N2 37.3(3) . . . . ?
O3 Zn1 O1 N2 -71.5(9) . . . . ?
O7 Zn1 O1 N2 -152.2(3) . . . . ?
N1 Zn1 O1 N2 -56.3(3) . . . . ?
N6 Zn1 O1 N2 122.8(3) . . . . ?
C13 N4 O3 Zn1 46.2(5) . . . . ?
C15 N4 O3 Zn1 -136.0(4) . . . . ?
O5 Zn1 O3 N4 -147.0(3) . . . . ?
O7 Zn1 O3 N4 43.0(3) . . . . ?
O1 Zn1 O3 N4 -37.9(10) . . . . ?
N1 Zn1 O3 N4 -53.1(3) . . . . ?
N6 Zn1 O3 N4 127.6(3) . . . . ?
C25 N7 O5 Zn1 -51.7(5) . . . . ?
C26 N7 O5 Zn1 135.8(3) . . . . ?
O3 Zn1 O5 N7 -44.9(3) . . . . ?
O7 Zn1 O5 N7 28.4(8) . . . . ?
O1 Zn1 O5 N7 143.4(3) . . . . ?
N1 Zn1 O5 N7 -131.6(3) . . . . ?
N6 Zn1 O5 N7 54.5(3) . . . . ?
C32 N9 O7 Zn1 -46.9(5) . . . . ?
C33 N9 O7 Zn1 137.4(4) . . . . ?
O5 Zn1 O7 N9 83.1(8) . . . . ?
O3 Zn1 O7 N9 156.5(3) . . . . ?
O1 Zn1 O7 N9 -32.1(3) . . . . ?
N1 Zn1 O7 N9 -117.0(3) . . . . ?
N6 Zn1 O7 N9 57.0(3) . . . . ?
