#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/49/4314968.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_4314968
loop_
_publ_author_name
'Shigehisa Akine'
'Satoko Kagiyama'
'Tatsuya Nabeshima'
_publ_contact_author_address
;
Tsukuba, Ibaraki 305-8571, Japan
;
_publ_contact_author_email       akine@chem.tsukuba.ac.jp
_publ_contact_author_fax         +81-29-853-4527
_publ_contact_author_name        'Shigehisa Akine'
_publ_contact_author_phone       +81-29-853-4527
_publ_section_title
;
 Modulation of Multimetal Complexation Behavior of Tetraoxime Ligand by
 Covalent Transformation of Olefinic Functionalities
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2141
_journal_page_last               2152
_journal_paper_doi               10.1021/ic9019926
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         C35.70H37.70Cl2.10N4O15.50Zn3
_chemical_formula_sum            'C35.7 H37.7 Cl2.1 N4 O15.5 Zn3'
_chemical_formula_weight         1041.35
_chemical_name_common            '[LZn3(OAc)2(MeOH)](CHCl3)0.7(H2O)0.5'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.821(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.564(3)
_cell_length_b                   23.317(5)
_cell_length_c                   16.731(5)
_cell_measurement_reflns_used    38002
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      3.01
_cell_volume                     4060.8(19)
_computing_cell_refinement       'Rapid AUTO (Rigaku Corp.)'
_computing_data_collection       'Rapid AUTO (Rigaku Corp.)'
_computing_data_reduction        'Rapid AUTO (Rigaku Corp.)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS Rapid'
_diffrn_measurement_method       IP
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38002
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.972
_exptl_absorpt_correction_T_max  0.9432
_exptl_absorpt_correction_T_min  0.4388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Rapid AUTO (Rigaku Corp.)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2118
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.163
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         8861
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0448P)²+7.2165P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                7239
_reflns_number_total             8861
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9019926_si_001_04.cif
_cod_data_source_block           trans-LZn3
_cod_original_cell_volume        4060.8(17)
_cod_original_formula_sum        'C35.70 H37.70 Cl2.10 N4 O15.50 Zn3'
_cod_database_code               4314968
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.43967(4) -0.049894(14) 0.21489(2) 0.02145(9) Uani 1 1 d . . .
Zn2 Zn 0.50480(3) 0.179957(14) 0.44873(2) 0.02003(9) Uani 1 1 d . . .
Zn3 Zn 0.47894(4) 0.093995(14) 0.27774(2) 0.02259(9) Uani 1 1 d . . .
C1 C 0.6597(3) -0.15335(13) 0.18836(19) 0.0254(7) Uani 1 1 d . . .
C2 C 0.6951(3) -0.10690(12) 0.24195(19) 0.0225(6) Uani 1 1 d . . .
C3 C 0.8235(3) -0.10798(13) 0.2859(2) 0.0268(7) Uani 1 1 d . A .
C4 C 0.9074(3) -0.15162(15) 0.2776(2) 0.0316(7) Uani 1 1 d . . .
H1 H 0.9917 -0.1508 0.3083 0.038 Uiso 1 1 calc R . .
C5 C 0.8703(4) -0.19710(15) 0.2247(2) 0.0339(8) Uani 1 1 d . . .
H2 H 0.9285 -0.2274 0.2194 0.041 Uiso 1 1 calc R . .
C6 C 0.7483(4) -0.19731(14) 0.1805(2) 0.0314(8) Uani 1 1 d . . .
H3 H 0.7229 -0.2278 0.1436 0.038 Uiso 1 1 calc R . .
O1 O 0.6200(2) -0.06412(9) 0.25400(13) 0.0253(5) Uani 1 1 d . . .
O2 O 0.8591(2) -0.06288(10) 0.33839(15) 0.0316(5) Uani 1 1 d . . .
C7 C 0.5341(3) -0.15856(13) 0.13782(19) 0.0270(7) Uani 1 1 d . . .
H4 H 0.5211 -0.1900 0.1011 0.032 Uiso 1 1 calc R . .
N1 N 0.4399(3) -0.12460(11) 0.13851(16) 0.0253(6) Uani 1 1 d . . .
O3 O 0.3338(2) -0.14126(10) 0.07868(14) 0.0324(5) Uani 1 1 d . . .
C8 C 0.2205(3) -0.11247(14) 0.0930(2) 0.0322(7) Uani 1 1 d . . .
H5 H 0.1564 -0.1126 0.0424 0.039 Uiso 1 1 calc R . .
H6 H 0.2419 -0.0720 0.1075 0.039 Uiso 1 1 calc R . .
C9 C 0.1622(4) -0.13968(15) 0.1596(2) 0.0373(8) Uani 1 1 d . . .
H7 H 0.0886 -0.1160 0.1694 0.045 Uiso 1 1 calc R . .
H8 H 0.1283 -0.1779 0.1410 0.045 Uiso 1 1 calc R . .
O4 O 0.2494(3) -0.14641(9) 0.23492(15) 0.0346(6) Uani 1 1 d . . .
N2 N 0.2959(3) -0.09192(10) 0.26661(17) 0.0268(6) Uani 1 1 d . . .
C10 C 0.2794(3) -0.08768(13) 0.3404(2) 0.0258(7) Uani 1 1 d . . .
H9 H 0.2387 -0.1189 0.3624 0.031 Uiso 1 1 calc R . .
C11 C 0.3176(3) -0.03923(12) 0.39334(18) 0.0210(6) Uani 1 1 d . . .
C12 C 0.3805(3) 0.00907(12) 0.36922(18) 0.0186(6) Uani 1 1 d . . .
C13 C 0.4086(3) 0.05600(12) 0.42443(18) 0.0187(6) Uani 1 1 d . . .
C14 C 0.3728(3) 0.05281(12) 0.50080(18) 0.0205(6) Uani 1 1 d . . .
C15 C 0.3132(3) 0.00246(13) 0.52473(19) 0.0245(6) Uani 1 1 d . . .
H10 H 0.2922 0.0000 0.5776 0.029 Uiso 1 1 calc R . .
C16 C 0.2861(3) -0.04209(12) 0.47238(19) 0.0238(6) Uani 1 1 d . . .
H11 H 0.2457 -0.0755 0.4888 0.029 Uiso 1 1 calc R . .
O5 O 0.4137(2) 0.01425(8) 0.29627(13) 0.0217(4) Uani 1 1 d . . .
O6 O 0.4693(2) 0.10019(8) 0.39881(13) 0.0207(4) Uani 1 1 d . . .
C17 C 0.3967(3) 0.09773(12) 0.56144(19) 0.0216(6) Uani 1 1 d . . .
H12 H 0.3813 0.0893 0.6145 0.026 Uiso 1 1 calc R . .
N3 N 0.4372(3) 0.14825(10) 0.54812(15) 0.0218(5) Uani 1 1 d . . .
O7 O 0.4611(2) 0.18150(9) 0.62087(13) 0.0241(5) Uani 1 1 d . . .
C18 C 0.3633(3) 0.22465(13) 0.6208(2) 0.0256(7) Uani 1 1 d . . .
H13 H 0.3882 0.2495 0.6689 0.031 Uiso 1 1 calc R . .
H14 H 0.2819 0.2053 0.6266 0.031 Uiso 1 1 calc R . .
C19 C 0.3390(3) 0.26241(13) 0.5457(2) 0.0271(7) Uani 1 1 d . . .
H15 H 0.3141 0.2379 0.4973 0.033 Uiso 1 1 calc R . .
H16 H 0.2661 0.2884 0.5496 0.033 Uiso 1 1 calc R . .
O8 O 0.4482(2) 0.29596(9) 0.53550(15) 0.0290(5) Uani 1 1 d . . .
N4 N 0.5445(3) 0.25981(10) 0.51282(17) 0.0235(6) Uani 1 1 d . . .
C20 C 0.6555(3) 0.27954(12) 0.5412(2) 0.0252(7) Uani 1 1 d . . .
H17 H 0.6591 0.3143 0.5712 0.030 Uiso 1 1 calc R . .
C21 C 0.7768(3) 0.25362(12) 0.53183(19) 0.0225(6) Uani 1 1 d . . .
C22 C 0.7874(3) 0.20474(12) 0.48369(18) 0.0208(6) Uani 1 1 d . . .
C23 C 0.9129(3) 0.18387(12) 0.48171(19) 0.0224(6) Uani 1 1 d . . .
C24 C 1.0201(3) 0.21022(14) 0.5251(2) 0.0283(7) Uani 1 1 d . . .
H18 H 1.1033 0.1957 0.5225 0.034 Uiso 1 1 calc R . .
C25 C 1.0065(3) 0.25818(15) 0.5728(2) 0.0317(7) Uani 1 1 d . . .
H19 H 1.0805 0.2760 0.6030 0.038 Uiso 1 1 calc R . .
C26 C 0.8877(3) 0.27958(14) 0.5763(2) 0.0275(7) Uani 1 1 d . . .
H20 H 0.8792 0.3122 0.6089 0.033 Uiso 1 1 calc R . .
O9 O 0.6879(2) 0.17850(9) 0.43989(14) 0.0243(5) Uani 1 1 d . . .
O10 O 0.9181(2) 0.13648(9) 0.43354(14) 0.0259(5) Uani 1 1 d . . .
C27 C 1.0412(3) 0.11090(16) 0.4359(2) 0.0364(8) Uani 1 1 d . A .
H21 H 1.0788 0.1010 0.4925 0.044 Uiso 1 1 calc R . .
H22 H 1.0994 0.1383 0.4151 0.044 Uiso 1 1 calc R . .
C28 C 1.0272(4) 0.05793(15) 0.3848(2) 0.0378(9) Uani 1 1 d . . .
H23 H 1.1047 0.0399 0.3768 0.045 Uiso 0.625(7) 1 calc PR A 1
H24 H 1.0437 0.0602 0.3308 0.045 Uiso 0.375(7) 1 calc PR A 2
C29 C 0.9220(5) 0.0340(2) 0.3503(3) 0.0270(13) Uani 0.625(7) 1 d P A 1
H25 H 0.8435 0.0508 0.3590 0.032 Uiso 0.625(7) 1 calc PR A 1
C30 C 0.9144(6) -0.0180(2) 0.2980(3) 0.0297(14) Uani 0.625(7) 1 d P A 1
H26 H 0.8605 -0.0102 0.2446 0.036 Uiso 0.625(7) 1 calc PR A 1
H27 H 1.0013 -0.0292 0.2890 0.036 Uiso 0.625(7) 1 calc PR A 1
C31 C 0.9925(10) 0.0076(5) 0.4123(6) 0.045(3) Uani 0.375(7) 1 d P A 2
H28 H 0.9722 0.0067 0.4655 0.054 Uiso 0.375(7) 1 calc PR A 2
C32 C 0.9831(9) -0.0473(4) 0.3658(6) 0.035(2) Uani 0.375(7) 1 d P A 2
H29 H 1.0284 -0.0431 0.3190 0.042 Uiso 0.375(7) 1 calc PR A 2
H30 H 1.0264 -0.0781 0.4010 0.042 Uiso 0.375(7) 1 calc PR A 2
O11 O 0.4045(2) 0.00079(9) 0.11886(14) 0.0305(5) Uani 1 1 d . . .
O12 O 0.4899(3) 0.08554(10) 0.16133(14) 0.0343(6) Uani 1 1 d . . .
C33 C 0.4429(4) 0.05064(14) 0.1072(2) 0.0320(8) Uani 1 1 d . . .
C34 C 0.4322(6) 0.07050(17) 0.0208(2) 0.0646(16) Uani 1 1 d . . .
H31 H 0.3687 0.1014 0.0105 0.097 Uiso 1 1 calc R . .
H32 H 0.4050 0.0384 -0.0159 0.097 Uiso 1 1 calc R . .
H33 H 0.5159 0.0846 0.0116 0.097 Uiso 1 1 calc R . .
O13 O 0.3705(2) 0.21340(9) 0.36264(14) 0.0283(5) Uani 1 1 d . . .
O14 O 0.3420(3) 0.15504(10) 0.25445(14) 0.0334(5) Uani 1 1 d . . .
C35 C 0.3059(3) 0.19360(13) 0.2981(2) 0.0275(7) Uani 1 1 d . . .
C36 C 0.1748(4) 0.21937(16) 0.2699(2) 0.0384(9) Uani 1 1 d . . .
H34 H 0.1817 0.2505 0.2315 0.058 Uiso 1 1 calc R . .
H35 H 0.1411 0.2346 0.3167 0.058 Uiso 1 1 calc R . .
H36 H 0.1166 0.1898 0.2432 0.058 Uiso 1 1 calc R . .
O15 O 0.6630(2) 0.12245(10) 0.30295(16) 0.0306(5) Uani 1 1 d . . .
H37 H 0.687(4) 0.1396(17) 0.345(3) 0.034(11) Uiso 1 1 d . . .
C37 C 0.7388(4) 0.14542(17) 0.2472(2) 0.0406(9) Uani 1 1 d . . .
H38 H 0.7069 0.1307 0.1926 0.061 Uiso 1 1 calc R . .
H39 H 0.8287 0.1339 0.2640 0.061 Uiso 1 1 calc R . .
H40 H 0.7328 0.1874 0.2469 0.061 Uiso 1 1 calc R . .
Cl1 Cl 0.7754(5) 0.0414(2) 0.0874(2) 0.0820(13) Uani 0.35 1 d PD B -1
Cl2 Cl 0.8751(5) -0.0735(2) 0.0760(3) 0.0904(15) Uani 0.35 1 d PD B -1
Cl3 Cl 1.0459(8) 0.0250(4) 0.1402(9) 0.217(6) Uani 0.35 1 d PD B -1
C38 C 0.8896(15) -0.0097(6) 0.1279(13) 0.095(6) Uiso 0.35 1 d PD B -1
H41 H 0.8733 -0.0183 0.1838 0.114 Uiso 0.35 1 calc PR B -1
Cl4 Cl 0.9573(12) 0.1042(5) 0.1276(8) 0.099(3) Uiso 0.15 1 d PD C -2
Cl5 Cl 0.8255(18) 0.0073(7) 0.1598(11) 0.149(6) Uiso 0.15 1 d PD C -2
Cl6 Cl 0.9999(14) 0.0091(6) 0.0330(8) 0.105(4) Uiso 0.15 1 d PD C -2
C39 C 0.887(3) 0.0410(10) 0.0841(18) 0.114(17) Uiso 0.15 1 d PD C -2
H42 H 0.8127 0.0527 0.0421 0.136 Uiso 0.15 1 calc PR C -2
Cl7 Cl 1.1145(7) 0.0574(3) 0.1676(4) 0.0663(16) Uiso 0.20 1 d PD D -3
Cl8 Cl 0.9123(13) -0.0047(6) 0.0610(9) 0.147(5) Uiso 0.20 1 d PD D -3
Cl9 Cl 1.0955(11) 0.0619(5) -0.0039(7) 0.117(3) Uiso 0.20 1 d PD D -3
C40 C 1.012(3) 0.0547(15) 0.0774(11) 0.15(2) Uiso 0.20 1 d PD D -3
H43 H 0.9550 0.0889 0.0758 0.182 Uiso 0.20 1 calc PR D -3
O16 O 1.1299(13) 0.0242(6) 0.1928(8) 0.050(3) Uiso 0.25 1 d P E -4
O17 O 1.1706(12) 0.0951(5) 0.1340(8) 0.053(3) Uiso 0.25 1 d P F -4
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'
Zn Zn 0.2839 1.4301 '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'
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
O1 Zn1 O11 114.50(10) . . ?
O1 Zn1 O5 97.74(9) . . ?
O11 Zn1 O5 94.30(9) . . ?
O1 Zn1 N2 121.14(10) . . ?
O11 Zn1 N2 124.15(11) . . ?
O5 Zn1 N2 83.14(9) . . ?
O1 Zn1 N1 87.81(10) . . ?
O11 Zn1 N1 91.16(10) . . ?
O5 Zn1 N1 169.78(9) . . ?
N2 Zn1 N1 86.65(10) . . ?
O9 Zn2 O13 122.61(10) . . ?
O9 Zn2 O6 93.89(9) . . ?
O13 Zn2 O6 90.13(9) . . ?
O9 Zn2 N3 122.47(10) . . ?
O13 Zn2 N3 114.92(10) . . ?
O6 Zn2 N3 86.47(9) . . ?
O9 Zn2 N4 86.68(9) . . ?
O13 Zn2 N4 94.32(9) . . ?
O6 Zn2 N4 174.33(9) . . ?
N3 Zn2 N4 88.46(10) . . ?
O12 Zn3 O14 92.33(10) . . ?
O12 Zn3 O5 97.91(9) . . ?
O14 Zn3 O5 115.18(10) . . ?
O12 Zn3 O15 91.27(11) . . ?
O14 Zn3 O15 116.05(10) . . ?
O5 Zn3 O15 127.39(10) . . ?
O12 Zn3 O6 178.25(9) . . ?
O14 Zn3 O6 89.22(9) . . ?
O5 Zn3 O6 80.67(8) . . ?
O15 Zn3 O6 88.80(9) . . ?
C6 C1 C2 120.6(3) . . ?
C6 C1 C7 116.1(3) . . ?
C2 C1 C7 123.3(3) . . ?
O1 C2 C1 125.3(3) . . ?
O1 C2 C3 118.7(3) . . ?
C1 C2 C3 115.9(3) . . ?
C4 C3 O2 121.2(3) . . ?
C4 C3 C2 122.3(3) . . ?
O2 C3 C2 116.5(3) . . ?
C3 C4 C5 120.8(3) . . ?
C3 C4 H1 119.6 . . ?
C5 C4 H1 119.6 . . ?
C6 C5 C4 118.8(3) . . ?
C6 C5 H2 120.6 . . ?
C4 C5 H2 120.6 . . ?
C5 C6 C1 121.6(3) . . ?
C5 C6 H3 119.2 . . ?
C1 C6 H3 119.2 . . ?
C2 O1 Zn1 131.7(2) . . ?
C32 O2 C3 124.0(5) . . ?
C32 O2 C30 61.0(5) . . ?
C3 O2 C30 110.3(3) . . ?
N1 C7 C1 125.5(3) . . ?
N1 C7 H4 117.2 . . ?
C1 C7 H4 117.2 . . ?
C7 N1 O3 110.3(3) . . ?
C7 N1 Zn1 125.9(2) . . ?
O3 N1 Zn1 123.78(19) . . ?
N1 O3 C8 109.6(2) . . ?
O3 C8 C9 112.8(3) . . ?
O3 C8 H5 109.0 . . ?
C9 C8 H5 109.0 . . ?
O3 C8 H6 109.0 . . ?
C9 C8 H6 109.0 . . ?
H5 C8 H6 107.8 . . ?
O4 C9 C8 114.4(3) . . ?
O4 C9 H7 108.7 . . ?
C8 C9 H7 108.7 . . ?
O4 C9 H8 108.7 . . ?
C8 C9 H8 108.7 . . ?
H7 C9 H8 107.6 . . ?
N2 O4 C9 110.9(2) . . ?
C10 N2 O4 109.4(2) . . ?
C10 N2 Zn1 125.8(2) . . ?
O4 N2 Zn1 119.03(19) . . ?
N2 C10 C11 125.4(3) . . ?
N2 C10 H9 117.3 . . ?
C11 C10 H9 117.3 . . ?
C12 C11 C16 120.3(3) . . ?
C12 C11 C10 123.1(3) . . ?
C16 C11 C10 116.6(3) . . ?
O5 C12 C11 123.3(3) . . ?
O5 C12 C13 117.7(2) . . ?
C11 C12 C13 119.0(3) . . ?
O6 C13 C14 124.1(3) . . ?
O6 C13 C12 116.5(3) . . ?
C14 C13 C12 119.5(3) . . ?
C13 C14 C15 120.3(3) . . ?
C13 C14 C17 124.1(3) . . ?
C15 C14 C17 115.6(3) . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H10 119.8 . . ?
C14 C15 H10 119.8 . . ?
C15 C16 C11 120.5(3) . . ?
C15 C16 H11 119.7 . . ?
C11 C16 H11 119.7 . . ?
C12 O5 Zn3 111.91(17) . . ?
C12 O5 Zn1 128.46(17) . . ?
Zn3 O5 Zn1 118.39(10) . . ?
C13 O6 Zn2 129.85(19) . . ?
C13 O6 Zn3 111.95(18) . . ?
Zn2 O6 Zn3 115.50(9) . . ?
N3 C17 C14 124.3(3) . . ?
N3 C17 H12 117.8 . . ?
C14 C17 H12 117.8 . . ?
C17 N3 O7 111.4(2) . . ?
C17 N3 Zn2 129.9(2) . . ?
O7 N3 Zn2 117.29(18) . . ?
N3 O7 C18 110.8(2) . . ?
O7 C18 C19 115.2(3) . . ?
O7 C18 H13 108.5 . . ?
C19 C18 H13 108.5 . . ?
O7 C18 H14 108.5 . . ?
C19 C18 H14 108.5 . . ?
H13 C18 H14 107.5 . . ?
O8 C19 C18 113.0(3) . . ?
O8 C19 H15 109.0 . . ?
C18 C19 H15 109.0 . . ?
O8 C19 H16 109.0 . . ?
C18 C19 H16 109.0 . . ?
H15 C19 H16 107.8 . . ?
N4 O8 C19 109.7(2) . . ?
C20 N4 O8 110.0(2) . . ?
C20 N4 Zn2 125.9(2) . . ?
O8 N4 Zn2 123.93(18) . . ?
N4 C20 C21 125.7(3) . . ?
N4 C20 H17 117.1 . . ?
C21 C20 H17 117.1 . . ?
C22 C21 C26 120.5(3) . . ?
C22 C21 C20 123.8(3) . . ?
C26 C21 C20 115.7(3) . . ?
O9 C22 C21 123.8(3) . . ?
O9 C22 C23 119.1(3) . . ?
C21 C22 C23 117.1(3) . . ?
O10 C23 C24 123.7(3) . . ?
O10 C23 C22 114.9(3) . . ?
C24 C23 C22 121.4(3) . . ?
C23 C24 C25 120.2(3) . . ?
C23 C24 H18 119.9 . . ?
C25 C24 H18 119.9 . . ?
C26 C25 C24 120.2(3) . . ?
C26 C25 H19 119.9 . . ?
C24 C25 H19 119.9 . . ?
C25 C26 C21 120.5(3) . . ?
C25 C26 H20 119.7 . . ?
C21 C26 H20 119.7 . . ?
C22 O9 Zn2 130.5(2) . . ?
C23 O10 C27 116.6(2) . . ?
O10 C27 C28 109.2(3) . . ?
O10 C27 H21 109.8 . . ?
C28 C27 H21 109.8 . . ?
O10 C27 H22 109.8 . . ?
C28 C27 H22 109.8 . . ?
H21 C27 H22 108.3 . . ?
C29 C28 C31 60.5(5) . . ?
C29 C28 C27 127.4(4) . . ?
C31 C28 C27 122.4(5) . . ?
C29 C28 H23 116.3 . . ?
C31 C28 H23 87.3 . . ?
C27 C28 H23 116.3 . . ?
C29 C28 H24 83.2 . . ?
C31 C28 H24 118.8 . . ?
C27 C28 H24 118.8 . . ?
H23 C28 H24 65.8 . . ?
C28 C29 C30 124.9(5) . . ?
C28 C29 H25 117.6 . . ?
C30 C29 H25 117.6 . . ?
O2 C30 C29 107.7(4) . . ?
O2 C30 H26 110.2 . . ?
C29 C30 H26 110.2 . . ?
O2 C30 H27 110.2 . . ?
C29 C30 H27 110.2 . . ?
H26 C30 H27 108.5 . . ?
C28 C31 C32 124.9(9) . . ?
C28 C31 H28 117.6 . . ?
C32 C31 H28 117.6 . . ?
O2 C32 C31 112.2(8) . . ?
O2 C32 H29 109.2 . . ?
C31 C32 H29 109.2 . . ?
O2 C32 H30 109.2 . . ?
C31 C32 H30 109.2 . . ?
H29 C32 H30 107.9 . . ?
C33 O11 Zn1 131.1(2) . . ?
C33 O12 Zn3 133.8(2) . . ?
O12 C33 O11 125.9(3) . . ?
O12 C33 C34 116.7(3) . . ?
O11 C33 C34 117.4(3) . . ?
C33 C34 H31 109.5 . . ?
C33 C34 H32 109.5 . . ?
H31 C34 H32 109.5 . . ?
C33 C34 H33 109.5 . . ?
H31 C34 H33 109.5 . . ?
H32 C34 H33 109.5 . . ?
C35 O13 Zn2 133.4(2) . . ?
C35 O14 Zn3 132.1(2) . . ?
O14 C35 O13 125.8(3) . . ?
O14 C35 C36 117.2(3) . . ?
O13 C35 C36 117.1(3) . . ?
C35 C36 H34 109.5 . . ?
C35 C36 H35 109.5 . . ?
H34 C36 H35 109.5 . . ?
C35 C36 H36 109.5 . . ?
H34 C36 H36 109.5 . . ?
H35 C36 H36 109.5 . . ?
C37 O15 Zn3 127.5(2) . . ?
C37 O15 H37 105(3) . . ?
Zn3 O15 H37 119(3) . . ?
O15 C37 H38 109.5 . . ?
O15 C37 H39 109.5 . . ?
H38 C37 H39 109.5 . . ?
O15 C37 H40 109.5 . . ?
H38 C37 H40 109.5 . . ?
H39 C37 H40 109.5 . . ?
Cl2 C38 Cl1 113.4(9) . . ?
Cl2 C38 Cl3 116.3(11) . . ?
Cl1 C38 Cl3 107.2(9) . . ?
Cl2 C38 H41 106.4 . . ?
Cl1 C38 H41 106.4 . . ?
Cl3 C38 H41 106.4 . . ?
Cl5 C39 Cl6 123.0(18) . . ?
Cl5 C39 Cl4 105.5(14) . . ?
Cl6 C39 Cl4 106.7(14) . . ?
Cl5 C39 H42 107.0 . . ?
Cl6 C39 H42 107.0 . . ?
Cl4 C39 H42 107.0 . . ?
Cl7 C40 Cl8 116.6(16) . . ?
Cl7 C40 Cl9 111.1(14) . . ?
Cl8 C40 Cl9 109.1(14) . . ?
Cl7 C40 H43 106.5 . . ?
Cl8 C40 H43 106.5 . . ?
Cl9 C40 H43 106.5 . . ?
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 O1 1.934(2) . ?
Zn1 O11 1.978(2) . ?
Zn1 O5 2.072(2) . ?
Zn1 N2 2.113(3) . ?
Zn1 N1 2.161(3) . ?
Zn2 O9 1.965(2) . ?
Zn2 O13 2.000(2) . ?
Zn2 O6 2.047(2) . ?
Zn2 N3 2.056(3) . ?
Zn2 N4 2.154(3) . ?
Zn3 O12 1.981(2) . ?
Zn3 O14 2.019(2) . ?
Zn3 O5 2.025(2) . ?
Zn3 O15 2.030(3) . ?
Zn3 O6 2.051(2) . ?
C1 C6 1.409(5) . ?
C1 C2 1.415(4) . ?
C1 C7 1.452(5) . ?
C2 O1 1.311(4) . ?
C2 C3 1.429(5) . ?
C3 C4 1.372(5) . ?
C3 O2 1.381(4) . ?
C4 C5 1.394(5) . ?
C4 H1 0.9500 . ?
C5 C6 1.373(5) . ?
C5 H2 0.9500 . ?
C6 H3 0.9500 . ?
O2 C32 1.361(10) . ?
O2 C30 1.424(6) . ?
C7 N1 1.274(4) . ?
C7 H4 0.9500 . ?
N1 O3 1.423(3) . ?
O3 C8 1.427(4) . ?
C8 C9 1.503(5) . ?
C8 H5 0.9900 . ?
C8 H6 0.9900 . ?
C9 O4 1.438(5) . ?
C9 H7 0.9900 . ?
C9 H8 0.9900 . ?
O4 N2 1.431(3) . ?
N2 C10 1.280(4) . ?
C10 C11 1.449(4) . ?
C10 H9 0.9500 . ?
C11 C12 1.402(4) . ?
C11 C16 1.419(4) . ?
C12 O5 1.332(4) . ?
C12 C13 1.430(4) . ?
C13 O6 1.323(3) . ?
C13 C14 1.395(4) . ?
C14 C15 1.422(4) . ?
C14 C17 1.450(4) . ?
C15 C16 1.357(4) . ?
C15 H10 0.9500 . ?
C16 H11 0.9500 . ?
C17 N3 1.286(4) . ?
C17 H12 0.9500 . ?
N3 O7 1.429(3) . ?
O7 C18 1.442(4) . ?
C18 C19 1.519(5) . ?
C18 H13 0.9900 . ?
C18 H14 0.9900 . ?
C19 O8 1.428(4) . ?
C19 H15 0.9900 . ?
C19 H16 0.9900 . ?
O8 N4 1.422(3) . ?
N4 C20 1.274(4) . ?
C20 C21 1.449(4) . ?
C20 H17 0.9500 . ?
C21 C22 1.411(4) . ?
C21 C26 1.412(4) . ?
C22 O9 1.324(4) . ?
C22 C23 1.419(4) . ?
C23 O10 1.374(4) . ?
C23 C24 1.380(5) . ?
C24 C25 1.396(5) . ?
C24 H18 0.9500 . ?
C25 C26 1.361(5) . ?
C25 H19 0.9500 . ?
C26 H20 0.9500 . ?
O10 C27 1.425(4) . ?
C27 C28 1.495(5) . ?
C27 H21 0.9900 . ?
C27 H22 0.9900 . ?
C28 C29 1.288(7) . ?
C28 C31 1.334(12) . ?
C28 H23 0.9500 . ?
C28 H24 0.9500 . ?
C29 C30 1.491(7) . ?
C29 H25 0.9500 . ?
C30 H26 0.9900 . ?
C30 H27 0.9900 . ?
C31 C32 1.494(14) . ?
C31 H28 0.9500 . ?
C32 H29 0.9900 . ?
C32 H30 0.9900 . ?
O11 C33 1.257(4) . ?
O12 C33 1.255(4) . ?
C33 C34 1.503(5) . ?
C34 H31 0.9800 . ?
C34 H32 0.9800 . ?
C34 H33 0.9800 . ?
O13 C35 1.263(4) . ?
O14 C35 1.258(4) . ?
C35 C36 1.509(5) . ?
C36 H34 0.9800 . ?
C36 H35 0.9800 . ?
C36 H36 0.9800 . ?
O15 C37 1.433(4) . ?
O15 H37 0.82(4) . ?
C37 H38 0.9800 . ?
C37 H39 0.9800 . ?
C37 H40 0.9800 . ?
Cl1 C38 1.748(15) . ?
Cl2 C38 1.716(15) . ?
Cl3 C38 1.818(15) . ?
C38 H41 1.0000 . ?
Cl4 C39 1.75(2) . ?
Cl5 C39 1.712(19) . ?
Cl6 C39 1.745(19) . ?
C39 H42 1.0000 . ?
Cl7 C40 1.701(19) . ?
Cl8 C40 1.734(19) . ?
Cl9 C40 1.75(2) . ?
C40 H43 1.0000 . ?
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
C6 C1 C2 O1 -179.7(3) . . . . ?
C7 C1 C2 O1 1.5(5) . . . . ?
C6 C1 C2 C3 0.1(4) . . . . ?
C7 C1 C2 C3 -178.7(3) . . . . ?
O1 C2 C3 C4 179.0(3) . . . . ?
C1 C2 C3 C4 -0.8(5) . . . . ?
O1 C2 C3 O2 -0.2(4) . . . . ?
C1 C2 C3 O2 -180.0(3) . . . . ?
O2 C3 C4 C5 179.7(3) . . . . ?
C2 C3 C4 C5 0.5(5) . . . . ?
C3 C4 C5 C6 0.4(5) . . . . ?
C4 C5 C6 C1 -1.1(5) . . . . ?
C2 C1 C6 C5 0.8(5) . . . . ?
C7 C1 C6 C5 179.7(3) . . . . ?
C1 C2 O1 Zn1 5.7(5) . . . . ?
C3 C2 O1 Zn1 -174.1(2) . . . . ?
O11 Zn1 O1 C2 -97.5(3) . . . . ?
O5 Zn1 O1 C2 164.2(3) . . . . ?
N2 Zn1 O1 C2 77.5(3) . . . . ?
N1 Zn1 O1 C2 -7.2(3) . . . . ?
C4 C3 O2 C32 21.5(7) . . . . ?
C2 C3 O2 C32 -159.3(6) . . . . ?
C4 C3 O2 C30 89.5(4) . . . . ?
C2 C3 O2 C30 -91.3(4) . . . . ?
C6 C1 C7 N1 177.1(3) . . . . ?
C2 C1 C7 N1 -4.0(5) . . . . ?
C1 C7 N1 O3 177.4(3) . . . . ?
C1 C7 N1 Zn1 -0.1(5) . . . . ?
O1 Zn1 N1 C7 4.4(3) . . . . ?
O11 Zn1 N1 C7 118.9(3) . . . . ?
O5 Zn1 N1 C7 -118.8(5) . . . . ?
N2 Zn1 N1 C7 -117.0(3) . . . . ?
O1 Zn1 N1 O3 -172.9(2) . . . . ?
O11 Zn1 N1 O3 -58.4(2) . . . . ?
O5 Zn1 N1 O3 64.0(6) . . . . ?
N2 Zn1 N1 O3 65.8(2) . . . . ?
C7 N1 O3 C8 165.8(3) . . . . ?
Zn1 N1 O3 C8 -16.6(3) . . . . ?
N1 O3 C8 C9 -79.2(3) . . . . ?
O3 C8 C9 O4 53.9(4) . . . . ?
C8 C9 O4 N2 61.5(4) . . . . ?
C9 O4 N2 C10 128.3(3) . . . . ?
C9 O4 N2 Zn1 -77.0(3) . . . . ?
O1 Zn1 N2 C10 61.9(3) . . . . ?
O11 Zn1 N2 C10 -123.6(3) . . . . ?
O5 Zn1 N2 C10 -33.0(3) . . . . ?
N1 Zn1 N2 C10 147.3(3) . . . . ?
O1 Zn1 N2 O4 -88.3(2) . . . . ?
O11 Zn1 N2 O4 86.2(2) . . . . ?
O5 Zn1 N2 O4 176.8(2) . . . . ?
N1 Zn1 N2 O4 -2.9(2) . . . . ?
O4 N2 C10 C11 178.3(3) . . . . ?
Zn1 N2 C10 C11 25.7(5) . . . . ?
N2 C10 C11 C12 -1.2(5) . . . . ?
N2 C10 C11 C16 177.7(3) . . . . ?
C16 C11 C12 O5 179.4(3) . . . . ?
C10 C11 C12 O5 -1.7(5) . . . . ?
C16 C11 C12 C13 -2.0(4) . . . . ?
C10 C11 C12 C13 176.9(3) . . . . ?
O5 C12 C13 O6 -2.0(4) . . . . ?
C11 C12 C13 O6 179.3(3) . . . . ?
O5 C12 C13 C14 178.5(3) . . . . ?
C11 C12 C13 C14 -0.1(4) . . . . ?
O6 C13 C14 C15 -177.0(3) . . . . ?
C12 C13 C14 C15 2.4(4) . . . . ?
O6 C13 C14 C17 0.5(5) . . . . ?
C12 C13 C14 C17 179.9(3) . . . . ?
C13 C14 C15 C16 -2.5(5) . . . . ?
C17 C14 C15 C16 179.7(3) . . . . ?
C14 C15 C16 C11 0.4(5) . . . . ?
C12 C11 C16 C15 1.9(5) . . . . ?
C10 C11 C16 C15 -177.1(3) . . . . ?
C11 C12 O5 Zn3 171.7(2) . . . . ?
C13 C12 O5 Zn3 -6.9(3) . . . . ?
C11 C12 O5 Zn1 -21.4(4) . . . . ?
C13 C12 O5 Zn1 160.0(2) . . . . ?
O12 Zn3 O5 C12 -171.9(2) . . . . ?
O14 Zn3 O5 C12 -75.5(2) . . . . ?
O15 Zn3 O5 C12 90.4(2) . . . . ?
O6 Zn3 O5 C12 9.17(19) . . . . ?
O12 Zn3 O5 Zn1 19.77(14) . . . . ?
O14 Zn3 O5 Zn1 116.12(12) . . . . ?
O15 Zn3 O5 Zn1 -77.95(15) . . . . ?
O6 Zn3 O5 Zn1 -159.19(13) . . . . ?
O1 Zn1 O5 C12 -89.2(2) . . . . ?
O11 Zn1 O5 C12 155.4(2) . . . . ?
N2 Zn1 O5 C12 31.5(2) . . . . ?
N1 Zn1 O5 C12 33.3(7) . . . . ?
O1 Zn1 O5 Zn3 77.00(13) . . . . ?
O11 Zn1 O5 Zn3 -38.46(13) . . . . ?
N2 Zn1 O5 Zn3 -162.38(14) . . . . ?
N1 Zn1 O5 Zn3 -160.6(5) . . . . ?
C14 C13 O6 Zn2 -10.7(4) . . . . ?
C12 C13 O6 Zn2 169.88(19) . . . . ?
C14 C13 O6 Zn3 -170.9(2) . . . . ?
C12 C13 O6 Zn3 9.7(3) . . . . ?
O9 Zn2 O6 C13 131.2(2) . . . . ?
O13 Zn2 O6 C13 -106.1(2) . . . . ?
N3 Zn2 O6 C13 8.9(2) . . . . ?
O9 Zn2 O6 Zn3 -69.17(12) . . . . ?
O13 Zn2 O6 Zn3 53.54(12) . . . . ?
N3 Zn2 O6 Zn3 168.50(12) . . . . ?
O14 Zn3 O6 C13 105.4(2) . . . . ?
O5 Zn3 O6 C13 -10.29(19) . . . . ?
O15 Zn3 O6 C13 -138.5(2) . . . . ?
O14 Zn3 O6 Zn2 -57.84(12) . . . . ?
O5 Zn3 O6 Zn2 -173.53(12) . . . . ?
O15 Zn3 O6 Zn2 58.23(12) . . . . ?
C13 C14 C17 N3 9.9(5) . . . . ?
C15 C14 C17 N3 -172.5(3) . . . . ?
C14 C17 N3 O7 -175.4(3) . . . . ?
C14 C17 N3 Zn2 -9.4(5) . . . . ?
O9 Zn2 N3 C17 -91.3(3) . . . . ?
O13 Zn2 N3 C17 89.6(3) . . . . ?
O6 Zn2 N3 C17 1.1(3) . . . . ?
N4 Zn2 N3 C17 -176.3(3) . . . . ?
O9 Zn2 N3 O7 74.1(2) . . . . ?
O13 Zn2 N3 O7 -105.06(19) . . . . ?
O6 Zn2 N3 O7 166.4(2) . . . . ?
N4 Zn2 N3 O7 -11.01(19) . . . . ?
C17 N3 O7 C18 -106.7(3) . . . . ?
Zn2 N3 O7 C18 85.4(3) . . . . ?
N3 O7 C18 C19 -52.0(3) . . . . ?
O7 C18 C19 O8 -63.1(3) . . . . ?
C18 C19 O8 N4 71.0(3) . . . . ?
C19 O8 N4 C20 -147.8(3) . . . . ?
C19 O8 N4 Zn2 27.3(3) . . . . ?
O9 Zn2 N4 C20 -13.3(3) . . . . ?
O13 Zn2 N4 C20 -135.7(3) . . . . ?
N3 Zn2 N4 C20 109.4(3) . . . . ?
O9 Zn2 N4 O8 172.4(2) . . . . ?
O13 Zn2 N4 O8 49.9(2) . . . . ?
N3 Zn2 N4 O8 -65.0(2) . . . . ?
O8 N4 C20 C21 178.8(3) . . . . ?
Zn2 N4 C20 C21 3.8(5) . . . . ?
N4 C20 C21 C22 5.3(5) . . . . ?
N4 C20 C21 C26 -173.0(3) . . . . ?
C26 C21 C22 O9 -179.4(3) . . . . ?
C20 C21 C22 O9 2.3(5) . . . . ?
C26 C21 C22 C23 -0.7(4) . . . . ?
C20 C21 C22 C23 -179.0(3) . . . . ?
O9 C22 C23 O10 -0.8(4) . . . . ?
C21 C22 C23 O10 -179.6(3) . . . . ?
O9 C22 C23 C24 178.9(3) . . . . ?
C21 C22 C23 C24 0.1(4) . . . . ?
O10 C23 C24 C25 -179.8(3) . . . . ?
C22 C23 C24 C25 0.6(5) . . . . ?
C23 C24 C25 C26 -0.6(5) . . . . ?
C24 C25 C26 C21 0.0(5) . . . . ?
C22 C21 C26 C25 0.6(5) . . . . ?
C20 C21 C26 C25 179.1(3) . . . . ?
C21 C22 O9 Zn2 -20.3(4) . . . . ?
C23 C22 O9 Zn2 161.0(2) . . . . ?
O13 Zn2 O9 C22 114.7(2) . . . . ?
O6 Zn2 O9 C22 -152.7(2) . . . . ?
N3 Zn2 O9 C22 -64.4(3) . . . . ?
N4 Zn2 O9 C22 21.7(2) . . . . ?
C24 C23 O10 C27 6.2(4) . . . . ?
C22 C23 O10 C27 -174.2(3) . . . . ?
C23 O10 C27 C28 176.0(3) . . . . ?
O10 C27 C28 C29 -7.1(6) . . . . ?
O10 C27 C28 C31 -82.6(7) . . . . ?
C31 C28 C29 C30 -71.9(7) . . . . ?
C27 C28 C29 C30 178.1(4) . . . . ?
C32 O2 C30 C29 -74.7(6) . . . . ?
C3 O2 C30 C29 166.8(4) . . . . ?
C28 C29 C30 O2 114.5(6) . . . . ?
C29 C28 C31 C32 65.3(9) . . . . ?
C27 C28 C31 C32 -176.9(7) . . . . ?
C3 O2 C32 C31 172.0(6) . . . . ?
C30 O2 C32 C31 76.0(8) . . . . ?
C28 C31 C32 O2 -105.8(11) . . . . ?
O1 Zn1 O11 C33 -55.7(3) . . . . ?
O5 Zn1 O11 C33 44.9(3) . . . . ?
N2 Zn1 O11 C33 129.5(3) . . . . ?
N1 Zn1 O11 C33 -143.8(3) . . . . ?
O14 Zn3 O12 C33 -98.6(3) . . . . ?
O5 Zn3 O12 C33 17.3(3) . . . . ?
O15 Zn3 O12 C33 145.3(3) . . . . ?
Zn3 O12 C33 O11 -22.6(6) . . . . ?
Zn3 O12 C33 C34 157.6(3) . . . . ?
Zn1 O11 C33 O12 -18.1(6) . . . . ?
Zn1 O11 C33 C34 161.7(3) . . . . ?
O9 Zn2 O13 C35 85.7(3) . . . . ?
O6 Zn2 O13 C35 -9.0(3) . . . . ?
N3 Zn2 O13 C35 -95.2(3) . . . . ?
N4 Zn2 O13 C35 174.5(3) . . . . ?
O12 Zn3 O14 C35 -158.3(3) . . . . ?
O5 Zn3 O14 C35 101.8(3) . . . . ?
O15 Zn3 O14 C35 -65.8(3) . . . . ?
O6 Zn3 O14 C35 22.5(3) . . . . ?
Zn3 O14 C35 O13 20.5(5) . . . . ?
Zn3 O14 C35 C36 -160.8(3) . . . . ?
Zn2 O13 C35 O14 -29.9(5) . . . . ?
Zn2 O13 C35 C36 151.4(3) . . . . ?
O12 Zn3 O15 C37 19.1(3) . . . . ?
O14 Zn3 O15 C37 -74.1(3) . . . . ?
O5 Zn3 O15 C37 120.1(3) . . . . ?
O6 Zn3 O15 C37 -162.6(3) . . . . ?
