#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/63/4336382.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_4336382
loop_
_publ_author_name
'Daniel L. Reger'
'Andrea E. Pascui'
'Perry J. Pellechia'
'Mark D. Smith'
_publ_contact_author_address
;
Department of Chemistry and Biochemistry
University of South Carolina
Columbia, South Carolina 29208
USA
;
_publ_contact_author_email       reger@mailbox.sc.edu
_publ_contact_author_fax         '1 803 777 9521'
_publ_contact_author_name        'Professor Daniel L. Reger'
_publ_contact_author_phone       '1 803 777 2587'
_publ_section_title
;
 Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles:
 A Unique Case of Concerted Double Berry Pseudorotation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11638
_journal_page_last               11649
_journal_paper_doi               10.1021/ic402073d
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C40 H37 N16 O Zn2, 1.5(C2 H3 N), 3(Cl O4)'
_chemical_formula_sum            'C43 H41.5 Cl3 N17.5 O13 Zn2'
_chemical_formula_weight         1248.53
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 101.797(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3497(9)
_cell_length_b                   42.817(4)
_cell_length_c                   11.9166(9)
_cell_measurement_reflns_used    2659
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.818
_cell_measurement_theta_min      2.224
_cell_volume                     5169.2(8)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics    various
_computing_publication_material  'SHELXTL Version 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega 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  0.1046
_diffrn_reflns_av_sigmaI/netI    0.1374
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            27354
_diffrn_reflns_theta_full        23.82
_diffrn_reflns_theta_max         23.82
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_description       bar
_exptl_crystal_F_000             2548
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.999
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         8069
_refine_ls_number_restraints     107
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0679
_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)+(0.0684P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1516
_refine_ls_wR_factor_ref         0.1706
_reflns_number_gt                4410
_reflns_number_total             8069
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402073d_si_002_3.cif
_cod_data_source_block           1_1.5CH3CN
_cod_original_cell_volume        5169.2(7)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'C43 H41.50 Cl3 N17.50 O13 Zn2'
_cod_database_code               4336382
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.38709(9) 0.52940(2) 0.40603(7) 0.0325(3) Uani 1 1 d D . .
O1 O 0.5232(11) 0.5026(4) 0.4921(15) 0.031(4) Uani 0.50 1 d PDU . .
C11 C 0.2179(9) 0.5322(2) 0.0542(7) 0.045(2) Uani 1 1 d . . .
H11 H 0.1613 0.5233 -0.0107 0.054 Uiso 1 1 calc R . .
C12 C 0.2630(10) 0.5622(2) 0.0641(7) 0.053(3) Uani 1 1 d . . .
H12 H 0.2467 0.5782 0.0077 0.064 Uiso 1 1 calc R . .
C13 C 0.3376(9) 0.5643(2) 0.1743(7) 0.046(2) Uani 1 1 d . . .
H13 H 0.3810 0.5828 0.2060 0.055 Uiso 1 1 calc R . .
C21 C 0.0702(9) 0.4646(2) 0.2724(8) 0.050(2) Uani 1 1 d . . .
H21 H 0.0231 0.4526 0.2105 0.060 Uiso 1 1 calc R . .
C22 C 0.0436(10) 0.4670(2) 0.3780(9) 0.058(3) Uani 1 1 d . . .
H22 H -0.0273 0.4573 0.4040 0.069 Uiso 1 1 calc R . .
C23 C 0.1377(9) 0.4862(2) 0.4414(8) 0.047(2) Uani 1 1 d . . .
H23 H 0.1430 0.4917 0.5194 0.057 Uiso 1 1 calc R . .
C31 C 0.7791(9) 0.38630(19) 0.5155(7) 0.040(2) Uani 1 1 d . . .
H31 H 0.7696 0.3656 0.4860 0.048 Uiso 1 1 calc R . .
C32 C 0.8892(9) 0.3986(2) 0.5852(7) 0.048(2) Uani 1 1 d . . .
H32 H 0.9702 0.3883 0.6149 0.057 Uiso 1 1 calc R . .
C33 C 0.8571(8) 0.4291(2) 0.6030(7) 0.038(2) Uani 1 1 d . . .
H33 H 0.9151 0.4437 0.6476 0.046 Uiso 1 1 calc R . .
C41 C 0.3651(8) 0.38960(19) 0.5206(7) 0.036(2) Uani 1 1 d . . .
H41 H 0.3452 0.3701 0.4831 0.043 Uiso 1 1 calc R . .
C42 C 0.3036(8) 0.4022(2) 0.5992(6) 0.041(2) Uani 1 1 d . . .
H42 H 0.2323 0.3934 0.6275 0.049 Uiso 1 1 calc R . .
C43 C 0.3641(8) 0.4302(2) 0.6302(7) 0.040(2) Uani 1 1 d . . .
H43 H 0.3408 0.4442 0.6848 0.048 Uiso 1 1 calc R . .
C111 C 0.2554(8) 0.48475(18) 0.1837(6) 0.035(2) Uani 1 1 d . . .
H111 H 0.2068 0.4737 0.1138 0.042 Uiso 1 1 calc R . .
C112 C 0.3871(8) 0.46954(19) 0.2196(6) 0.034(2) Uani 1 1 d . . .
C113 C 0.4914(10) 0.4787(2) 0.1693(7) 0.050(3) Uani 1 1 d . . .
H113 H 0.4794 0.4948 0.1132 0.060 Uiso 1 1 calc R . .
C114 C 0.6134(10) 0.4640(2) 0.2018(8) 0.060(3) Uani 1 1 d . . .
H114 H 0.6833 0.4695 0.1650 0.072 Uiso 1 1 calc R . .
C115 C 0.6345(9) 0.4416(2) 0.2864(7) 0.051(3) Uani 1 1 d . . .
H115 H 0.7189 0.4322 0.3098 0.061 Uiso 1 1 calc R . .
C116 C 0.5307(8) 0.43280(18) 0.3372(6) 0.032(2) Uani 1 1 d . . .
C117 C 0.4084(8) 0.44644(18) 0.3023(6) 0.035(2) Uani 1 1 d . . .
H117 H 0.3372 0.4398 0.3358 0.041 Uiso 1 1 calc R . .
C118 C 0.5553(8) 0.40779(17) 0.4299(6) 0.0311(19) Uani 1 1 d . . .
H118 H 0.5435 0.3870 0.3905 0.037 Uiso 1 1 calc R . .
N11 N 0.3417(7) 0.53745(15) 0.2305(5) 0.0360(17) Uani 1 1 d . . .
N12 N 0.2686(7) 0.51753(16) 0.1541(5) 0.0380(17) Uani 1 1 d . . .
N21 N 0.2210(6) 0.49596(14) 0.3759(5) 0.0327(16) Uani 1 1 d . . .
N22 N 0.1763(7) 0.48262(15) 0.2714(5) 0.0375(17) Uani 1 1 d . . .
N31 N 0.7351(6) 0.43542(15) 0.5498(5) 0.0344(17) Uani 1 1 d . . .
N32 N 0.6874(6) 0.40887(15) 0.4966(5) 0.0326(16) Uani 1 1 d . . .
N41 N 0.4601(6) 0.43523(15) 0.5732(5) 0.0335(16) Uani 1 1 d . . .
N42 N 0.4590(6) 0.40953(14) 0.5053(5) 0.0305(16) Uani 1 1 d . . .
Zn2 Zn 0.72702(9) 0.20419(2) 0.93114(8) 0.0338(3) Uani 1 1 d . . .
O2 O 0.7268(8) 0.2500 0.9126(7) 0.046(2) Uani 1 2 d S . .
C51 C 1.0436(9) 0.13950(19) 0.9815(7) 0.042(2) Uani 1 1 d . . .
H51 H 1.1237 0.1318 1.0265 0.051 Uiso 1 1 calc R . .
C52 C 0.9679(10) 0.1255(2) 0.8899(8) 0.050(3) Uani 1 1 d . . .
H52 H 0.9831 0.1058 0.8586 0.060 Uiso 1 1 calc R . .
C53 C 0.8649(9) 0.1453(2) 0.8507(7) 0.045(2) Uani 1 1 d . . .
H53 H 0.7967 0.1412 0.7859 0.054 Uiso 1 1 calc R . .
C61 C 0.9583(9) 0.19562(19) 1.2686(6) 0.042(2) Uani 1 1 d . . .
H61 H 1.0402 0.1909 1.3180 0.050 Uiso 1 1 calc R . .
C62 C 0.8437(9) 0.2041(2) 1.3018(7) 0.050(3) Uani 1 1 d . . .
H62 H 0.8314 0.2066 1.3781 0.060 Uiso 1 1 calc R . .
C63 C 0.7499(9) 0.2082(2) 1.2022(7) 0.047(2) Uani 1 1 d . . .
H63 H 0.6604 0.2139 1.1986 0.056 Uiso 1 1 calc R . .
C71 C 0.4095(8) 0.13958(19) 0.8817(6) 0.035(2) Uani 1 1 d . . .
H71 H 0.3288 0.1321 0.8369 0.042 Uiso 1 1 calc R . .
C72 C 0.4843(9) 0.1249(2) 0.9737(7) 0.044(2) Uani 1 1 d . . .
H72 H 0.4671 0.1055 1.0063 0.053 Uiso 1 1 calc R . .
C73 C 0.5902(9) 0.1444(2) 1.0091(7) 0.041(2) Uani 1 1 d . . .
H73 H 0.6599 0.1402 1.0727 0.050 Uiso 1 1 calc R . .
C81 C 0.4867(10) 0.19116(18) 0.5900(7) 0.042(2) Uani 1 1 d . . .
H81 H 0.4030 0.1865 0.5434 0.051 Uiso 1 1 calc R . .
C82 C 0.6032(10) 0.1963(2) 0.5546(8) 0.058(3) Uani 1 1 d . . .
H82 H 0.6169 0.1957 0.4782 0.070 Uiso 1 1 calc R . .
C83 C 0.6966(9) 0.2027(2) 0.6531(7) 0.044(2) Uani 1 1 d . . .
H83 H 0.7864 0.2076 0.6541 0.053 Uiso 1 1 calc R . .
C121 C 1.0244(8) 0.19183(19) 1.0788(7) 0.040(2) Uani 1 1 d . . .
H121 H 1.1120 0.1858 1.1264 0.047 Uiso 1 1 calc R . .
C122 C 1.0428(8) 0.22202(19) 1.0176(7) 0.035(2) Uani 1 1 d . . .
C123 C 1.0664(8) 0.22203(19) 0.9091(7) 0.038(2) Uani 1 1 d . . .
H123 H 1.0730 0.2028 0.8709 0.046 Uiso 1 1 calc R . .
C124 C 1.0807(11) 0.2500 0.8543(10) 0.042(3) Uani 1 2 d S . .
H124 H 1.1002 0.2500 0.7798 0.051 Uiso 1 2 calc SR . .
C125 C 1.0306(11) 0.2500 1.0723(10) 0.035(3) Uani 1 2 d S . .
H125 H 1.0137 0.2500 1.1478 0.042 Uiso 1 2 calc SR . .
C126 C 0.4261(8) 0.19102(18) 0.7848(6) 0.033(2) Uani 1 1 d . . .
H126 H 0.3367 0.1854 0.7397 0.039 Uiso 1 1 calc R . .
C127 C 0.4150(7) 0.22177(19) 0.8455(6) 0.0304(19) Uani 1 1 d . . .
C128 C 0.3969(7) 0.2219(2) 0.9582(6) 0.035(2) Uani 1 1 d . . .
H128 H 0.3894 0.2028 0.9968 0.041 Uiso 1 1 calc R . .
C129 C 0.3898(11) 0.2500 1.0135(10) 0.042(3) Uani 1 2 d S . .
H129 H 0.3799 0.2500 1.0910 0.050 Uiso 1 2 calc SR . .
C130 C 0.4204(10) 0.2500 0.7876(9) 0.032(3) Uani 1 2 d S . .
H130 H 0.4278 0.2500 0.7094 0.038 Uiso 1 2 calc SR . .
N51 N 0.8717(7) 0.17099(15) 0.9144(6) 0.0363(17) Uani 1 1 d . . .
N52 N 0.9822(7) 0.16701(14) 0.9970(5) 0.0342(16) Uani 1 1 d . . .
N61 N 0.8054(7) 0.20293(16) 1.1109(5) 0.0378(17) Uani 1 1 d . . .
N62 N 0.9334(7) 0.19524(15) 1.1543(5) 0.0365(17) Uani 1 1 d . . .
N71 N 0.5843(7) 0.16978(15) 0.9443(5) 0.0345(17) Uani 1 1 d . . .
N72 N 0.4695(7) 0.16639(15) 0.8656(5) 0.0336(16) Uani 1 1 d . . .
N81 N 0.6435(7) 0.20097(14) 0.7474(5) 0.0359(17) Uani 1 1 d . . .
N82 N 0.5163(7) 0.19404(14) 0.7046(5) 0.0313(16) Uani 1 1 d . . .
Cl1 Cl 0.3754(2) 0.15981(5) 0.24756(17) 0.0385(5) Uani 1 1 d D . .
O11 O 0.5141(6) 0.16116(15) 0.2895(5) 0.0681(19) Uani 1 1 d D . .
O12 O 0.3084(6) 0.17202(14) 0.3314(5) 0.0580(18) Uani 1 1 d D . .
O13 O 0.3377(7) 0.17651(19) 0.1466(5) 0.091(3) Uani 1 1 d D . .
O14 O 0.3396(7) 0.12780(14) 0.2261(5) 0.069(2) Uani 1 1 d D . .
Cl2A Cl 0.0823(16) 0.1793(4) 0.5989(14) 0.0356(7) Uani 0.467(18) 1 d PD A 3
O21A O 0.1330(18) 0.1569(4) 0.6852(15) 0.065(4) Uiso 0.467(18) 1 d PD A 3
O22A O 0.057(2) 0.2096(4) 0.6376(14) 0.098(7) Uiso 0.467(18) 1 d PD A 3
O23A O 0.1710(14) 0.1836(5) 0.5243(12) 0.069(6) Uiso 0.467(18) 1 d PD A 3
O24A O -0.0400(13) 0.1675(4) 0.5339(12) 0.056(5) Uiso 0.467(18) 1 d PD A 3
Cl2B Cl 0.0864(14) 0.1808(3) 0.5978(12) 0.0356(7) Uani 0.533(18) 1 d PD A 4
O21B O 0.1500(13) 0.1662(4) 0.5148(10) 0.065(4) Uiso 0.533(18) 1 d PD A 4
O22B O 0.1249(14) 0.1646(4) 0.7057(11) 0.049(4) Uiso 0.533(18) 1 d PD A 4
O23B O -0.0518(11) 0.1809(4) 0.5670(11) 0.059(4) Uiso 0.533(18) 1 d PD A 4
O24B O 0.1426(17) 0.2109(3) 0.6197(12) 0.087(6) Uiso 0.533(18) 1 d PD A 4
Cl3A Cl 0.1692(15) 0.4577(4) 0.8513(12) 0.0554(15) Uani 0.481(10) 1 d PD B 1
O31A O 0.1354(15) 0.4734(3) 0.7454(11) 0.081(3) Uiso 0.481(10) 1 d PD B 1
O32A O 0.0742(14) 0.4648(4) 0.9217(12) 0.075(5) Uiso 0.481(10) 1 d PD B 1
O33A O 0.2932(15) 0.4655(4) 0.9206(15) 0.071(7) Uiso 0.481(10) 1 d PD B 1
O34A O 0.1727(16) 0.4250(3) 0.8289(14) 0.071(5) Uiso 0.481(10) 1 d PD B 1
Cl3B Cl 0.1628(14) 0.4546(3) 0.8706(11) 0.0554(15) Uani 0.519(10) 1 d PD B 2
O31B O 0.1330(16) 0.4332(4) 0.7789(12) 0.081(3) Uiso 0.519(10) 1 d PD B 2
O32B O 0.0700(17) 0.4802(4) 0.8564(15) 0.123(7) Uiso 0.519(10) 1 d PD B 2
O33B O 0.2891(15) 0.4686(4) 0.8828(16) 0.087(7) Uiso 0.519(10) 1 d PD B 2
O34B O 0.1322(18) 0.4404(4) 0.9730(12) 0.122(7) Uiso 0.519(10) 1 d PD B 2
N91 N 0.8500(9) 0.1059(2) 0.1837(8) 0.079(3) Uani 1 1 d . . .
C91 C 0.9417(10) 0.1109(2) 0.2488(8) 0.046(2) Uani 1 1 d . . .
C92 C 1.0603(10) 0.1170(2) 0.3320(9) 0.075(3) Uani 1 1 d . . .
H92A H 1.0820 0.0987 0.3819 0.112 Uiso 1 1 calc R . .
H92B H 1.0470 0.1351 0.3784 0.112 Uiso 1 1 calc R . .
H92C H 1.1329 0.1212 0.2927 0.112 Uiso 1 1 calc R . .
N92 N 0.5140(18) 0.2500 0.3206(11) 0.087(5) Uani 1 2 d S . .
C93 C 0.4177(19) 0.2500 0.3466(13) 0.063(5) Uani 1 2 d S . .
C94 C 0.2936(16) 0.2500 0.3792(13) 0.076(5) Uani 1 2 d S . .
H94A H 0.2659 0.2284 0.3883 0.113 Uiso 0.50 1 calc PR . .
H94B H 0.2282 0.2604 0.3198 0.113 Uiso 0.50 1 calc PR . .
H94C H 0.3008 0.2612 0.4519 0.113 Uiso 0.50 1 calc PR . .
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'
Cl Cl 0.1484 0.1585 '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'
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
O1 Zn1 O1 17.6(7) 3_666 .
O1 Zn1 N11 136.8(7) 3_666 .
O1 Zn1 N11 128.4(6) . .
O1 Zn1 N31 125.9(6) 3_666 3_666
O1 Zn1 N31 134.5(7) . 3_666
N11 Zn1 N31 96.3(2) . 3_666
O1 Zn1 N41 100.2(5) 3_666 3_666
O1 Zn1 N41 85.3(5) . 3_666
N11 Zn1 N41 90.5(2) . 3_666
N31 Zn1 N41 86.2(2) 3_666 3_666
O1 Zn1 N21 84.3(5) 3_666 .
O1 Zn1 N21 99.2(5) . .
N11 Zn1 N21 86.3(2) . .
N31 Zn1 N21 91.0(2) 3_666 .
N41 Zn1 N21 175.5(2) 3_666 .
O1 O1 Zn1 81.3(15) 3_666 3_666
O1 O1 Zn1 81.1(15) 3_666 .
Zn1 O1 Zn1 162.4(7) 3_666 .
N12 C11 C12 107.3(8) . .
N12 C11 H11 126.3 . .
C12 C11 H11 126.3 . .
C11 C12 C13 104.9(8) . .
C11 C12 H12 127.5 . .
C13 C12 H12 127.5 . .
N11 C13 C12 112.1(8) . .
N11 C13 H13 123.9 . .
C12 C13 H13 123.9 . .
N22 C21 C22 106.7(8) . .
N22 C21 H21 126.6 . .
C22 C21 H21 126.6 . .
C21 C22 C23 107.6(8) . .
C21 C22 H22 126.2 . .
C23 C22 H22 126.2 . .
N21 C23 C22 109.5(8) . .
N21 C23 H23 125.3 . .
C22 C23 H23 125.3 . .
N32 C31 C32 107.2(8) . .
N32 C31 H31 126.4 . .
C32 C31 H31 126.4 . .
C31 C32 C33 105.2(8) . .
C31 C32 H32 127.4 . .
C33 C32 H32 127.4 . .
N31 C33 C32 111.0(8) . .
N31 C33 H33 124.5 . .
C32 C33 H33 124.5 . .
N42 C41 C42 107.4(7) . .
N42 C41 H41 126.3 . .
C42 C41 H41 126.3 . .
C41 C42 C43 106.5(8) . .
C41 C42 H42 126.8 . .
C43 C42 H42 126.8 . .
N41 C43 C42 110.6(8) . .
N41 C43 H43 124.7 . .
C42 C43 H43 124.7 . .
N22 C111 N12 109.1(6) . .
N22 C111 C112 112.4(6) . .
N12 C111 C112 111.4(7) . .
N22 C111 H111 107.9 . .
N12 C111 H111 107.9 . .
C112 C111 H111 107.9 . .
C117 C112 C113 118.9(8) . .
C117 C112 C111 121.4(7) . .
C113 C112 C111 119.7(7) . .
C114 C113 C112 119.4(8) . .
C114 C113 H113 120.3 . .
C112 C113 H113 120.3 . .
C115 C114 C113 121.2(8) . .
C115 C114 H114 119.4 . .
C113 C114 H114 119.4 . .
C114 C115 C116 119.2(9) . .
C114 C115 H115 120.4 . .
C116 C115 H115 120.4 . .
C117 C116 C115 119.9(8) . .
C117 C116 C118 121.6(7) . .
C115 C116 C118 118.5(7) . .
C116 C117 C112 121.4(8) . .
C116 C117 H117 119.3 . .
C112 C117 H117 119.3 . .
N32 C118 N42 110.3(6) . .
N32 C118 C116 112.2(6) . .
N42 C118 C116 111.9(6) . .
N32 C118 H118 107.4 . .
N42 C118 H118 107.4 . .
C116 C118 H118 107.4 . .
C13 N11 N12 104.4(6) . .
C13 N11 Zn1 129.0(6) . .
N12 N11 Zn1 123.5(5) . .
C11 N12 N11 111.1(7) . .
C11 N12 C111 128.4(7) . .
N11 N12 C111 120.5(6) . .
C23 N21 N22 105.2(7) . .
C23 N21 Zn1 132.7(6) . .
N22 N21 Zn1 121.9(5) . .
C21 N22 N21 111.0(7) . .
C21 N22 C111 128.5(7) . .
N21 N22 C111 119.6(6) . .
C33 N31 N32 106.0(7) . .
C33 N31 Zn1 126.3(6) . 3_666
N32 N31 Zn1 122.8(5) . 3_666
C31 N32 N31 110.5(7) . .
C31 N32 C118 129.2(7) . .
N31 N32 C118 120.3(6) . .
C43 N41 N42 104.9(6) . .
C43 N41 Zn1 131.1(5) . 3_666
N42 N41 Zn1 123.3(5) . 3_666
C41 N42 N41 110.7(6) . .
C41 N42 C118 130.8(7) . .
N41 N42 C118 118.5(6) . .
O2 Zn2 N51 130.2(3) . .
O2 Zn2 N71 135.7(3) . .
N51 Zn2 N71 93.3(2) . .
O2 Zn2 N61 97.4(3) . .
N51 Zn2 N61 86.9(3) . .
N71 Zn2 N61 92.1(2) . .
O2 Zn2 N81 87.7(3) . .
N51 Zn2 N81 90.3(2) . .
N71 Zn2 N81 83.8(2) . .
N61 Zn2 N81 174.9(2) . .
Zn2 O2 Zn2 167.2(5) 4_565 .
C52 C51 N52 106.4(8) . .
C52 C51 H51 126.8 . .
N52 C51 H51 126.8 . .
C51 C52 C53 106.5(8) . .
C51 C52 H52 126.7 . .
C53 C52 H52 126.7 . .
N51 C53 C52 111.8(8) . .
N51 C53 H53 124.1 . .
C52 C53 H53 124.1 . .
N62 C61 C62 107.4(8) . .
N62 C61 H61 126.3 . .
C62 C61 H61 126.3 . .
C61 C62 C63 106.4(7) . .
C61 C62 H62 126.8 . .
C63 C62 H62 126.8 . .
N61 C63 C62 109.3(8) . .
N61 C63 H63 125.3 . .
C62 C63 H63 125.3 . .
N72 C71 C72 108.0(8) . .
N72 C71 H71 126.0 . .
C72 C71 H71 126.0 . .
C71 C72 C73 104.7(8) . .
C71 C72 H72 127.7 . .
C73 C72 H72 127.7 . .
N71 C73 C72 112.4(8) . .
N71 C73 H73 123.8 . .
C72 C73 H73 123.8 . .
N82 C81 C82 105.4(8) . .
N82 C81 H81 127.3 . .
C82 C81 H81 127.3 . .
C81 C82 C83 106.0(8) . .
C81 C82 H82 127.0 . .
C83 C82 H82 127.0 . .
N81 C83 C82 111.2(8) . .
N81 C83 H83 124.4 . .
C82 C83 H83 124.4 . .
N62 C121 N52 110.5(6) . .
N62 C121 C122 112.2(7) . .
N52 C121 C122 110.7(6) . .
N62 C121 H121 107.8 . .
N52 C121 H121 107.8 . .
C122 C121 H121 107.8 . .
C123 C122 C125 119.9(8) . .
C123 C122 C121 121.4(7) . .
C125 C122 C121 118.7(7) . .
C122 C123 C124 120.2(8) . .
C122 C123 H123 119.9 . .
C124 C123 H123 119.9 . .
C123 C124 C123 119.5(11) . 4_565
C123 C124 H124 120.2 . .
C123 C124 H124 120.2 4_565 .
C122 C125 C122 120.2(10) . 4_565
C122 C125 H125 119.9 . .
C122 C125 H125 119.9 4_565 .
N72 C126 N82 110.3(6) . .
N72 C126 C127 111.2(6) . .
N82 C126 C127 110.7(6) . .
N72 C126 H126 108.2 . .
N82 C126 H126 108.2 . .
C127 C126 H126 108.2 . .
C128 C127 C130 119.9(8) . .
C128 C127 C126 120.1(7) . .
C130 C127 C126 120.0(6) . .
C129 C128 C127 119.6(8) . .
C129 C128 H128 120.2 . .
C127 C128 H128 120.2 . .
C128 C129 C128 121.2(11) 4_565 .
C128 C129 H129 119.4 4_565 .
C128 C129 H129 119.4 . .
C127 C130 C127 119.6(10) 4_565 .
C127 C130 H130 120.2 4_565 .
C127 C130 H130 120.2 . .
C53 N51 N52 104.4(7) . .
C53 N51 Zn2 131.1(6) . .
N52 N51 Zn2 121.8(5) . .
N51 N52 C51 110.8(7) . .
N51 N52 C121 119.3(6) . .
C51 N52 C121 129.7(7) . .
C63 N61 N62 106.0(6) . .
C63 N61 Zn2 132.0(6) . .
N62 N61 Zn2 122.0(5) . .
C61 N62 N61 110.8(7) . .
C61 N62 C121 128.8(7) . .
N61 N62 C121 119.9(6) . .
C73 N71 N72 104.1(6) . .
C73 N71 Zn2 131.6(6) . .
N72 N71 Zn2 123.2(5) . .
C71 N72 N71 110.9(6) . .
C71 N72 C126 129.5(7) . .
N71 N72 C126 119.5(6) . .
N82 N81 C83 103.3(6) . .
N82 N81 Zn2 123.3(5) . .
C83 N81 Zn2 133.2(6) . .
C81 N82 N81 114.1(7) . .
C81 N82 C126 127.5(7) . .
N81 N82 C126 118.4(6) . .
O13 Cl1 O11 111.7(4) . .
O13 Cl1 O12 109.1(4) . .
O11 Cl1 O12 109.9(4) . .
O13 Cl1 O14 108.8(5) . .
O11 Cl1 O14 108.0(4) . .
O12 Cl1 O14 109.3(4) . .
O23A Cl2A O22A 105.8(14) . .
O23A Cl2A O21A 110.5(13) . .
O22A Cl2A O21A 116.5(14) . .
O23A Cl2A O24A 108.7(13) . .
O22A Cl2A O24A 107.3(13) . .
O21A Cl2A O24A 107.9(14) . .
O23B Cl2B O24B 113.8(12) . .
O23B Cl2B O21B 114.0(12) . .
O24B Cl2B O21B 107.0(12) . .
O23B Cl2B O22B 108.5(12) . .
O24B Cl2B O22B 104.2(12) . .
O21B Cl2B O22B 108.9(11) . .
O31A Cl3A O33A 116.0(13) . .
O31A Cl3A O34A 108.2(12) . .
O33A Cl3A O34A 106.7(13) . .
O31A Cl3A O32A 110.1(13) . .
O33A Cl3A O32A 104.6(12) . .
O34A Cl3A O32A 111.2(13) . .
O31B Cl3B O33B 114.0(13) . .
O31B Cl3B O32B 111.6(13) . .
O33B Cl3B O32B 105.4(13) . .
O31B Cl3B O34B 109.1(12) . .
O33B Cl3B O34B 116.4(13) . .
O32B Cl3B O34B 99.3(12) . .
N91 C91 C92 179.0(12) . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
N92 C93 C94 180(2) . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.938(8) 3_666
Zn1 O1 1.939(8) .
Zn1 N11 2.077(6) .
Zn1 N31 2.102(7) 3_666
Zn1 N41 2.167(7) 3_666
Zn1 N21 2.209(7) .
O1 O1 0.59(2) 3_666
O1 Zn1 1.938(8) 3_666
C11 N12 1.354(9) .
C11 C12 1.363(11) .
C11 H11 0.9500 .
C12 C13 1.384(11) .
C12 H12 0.9500 .
C13 N11 1.327(9) .
C13 H13 0.9500 .
C21 N22 1.343(10) .
C21 C22 1.346(12) .
C21 H21 0.9500 .
C22 C23 1.375(12) .
C22 H22 0.9500 .
C23 N21 1.342(9) .
C23 H23 0.9500 .
C31 N32 1.341(9) .
C31 C32 1.371(11) .
C31 H31 0.9500 .
C32 C33 1.374(11) .
C32 H32 0.9500 .
C33 N31 1.320(10) .
C33 H33 0.9500 .
C41 N42 1.334(9) .
C41 C42 1.348(11) .
C41 H41 0.9500 .
C42 C43 1.369(11) .
C42 H42 0.9500 .
C43 N41 1.330(9) .
C43 H43 0.9500 .
C111 N22 1.457(9) .
C111 N12 1.460(10) .
C111 C112 1.492(11) .
C111 H111 1.0000 .
C112 C117 1.381(10) .
C112 C113 1.395(11) .
C113 C114 1.393(12) .
C113 H113 0.9500 .
C114 C115 1.377(11) .
C114 H114 0.9500 .
C115 C116 1.388(11) .
C115 H115 0.9500 .
C116 C117 1.379(10) .
C116 C118 1.521(10) .
C117 H117 0.9500 .
C118 N32 1.435(9) .
C118 N42 1.474(9) .
C118 H118 1.0000 .
N11 N12 1.359(8) .
N21 N22 1.362(8) .
N31 N32 1.346(8) .
N31 Zn1 2.102(6) 3_666
N41 N42 1.364(8) .
N41 Zn1 2.167(6) 3_666
Zn2 O2 1.9737(13) .
Zn2 N51 2.104(7) .
Zn2 N71 2.115(7) .
Zn2 N61 2.130(6) .
Zn2 N81 2.188(6) .
O2 Zn2 1.9736(13) 4_565
C51 C52 1.348(11) .
C51 N52 1.368(10) .
C51 H51 0.9500 .
C52 C53 1.367(12) .
C52 H52 0.9500 .
C53 N51 1.330(10) .
C53 H53 0.9500 .
C61 N62 1.334(9) .
C61 C62 1.374(11) .
C61 H61 0.9500 .
C62 C63 1.382(11) .
C62 H62 0.9500 .
C63 N61 1.349(9) .
C63 H63 0.9500 .
C71 N72 1.338(10) .
C71 C72 1.360(11) .
C71 H71 0.9500 .
C72 C73 1.374(11) .
C72 H72 0.9500 .
C73 N71 1.328(9) .
C73 H73 0.9500 .
C81 N82 1.343(9) .
C81 C82 1.374(12) .
C81 H81 0.9500 .
C82 C83 1.387(12) .
C82 H82 0.9500 .
C83 N81 1.350(9) .
C83 H83 0.9500 .
C121 N62 1.437(10) .
C121 N52 1.447(9) .
C121 C122 1.515(11) .
C121 H121 1.0000 .
C122 C123 1.364(10) .
C122 C125 1.382(9) .
C123 C124 1.387(9) .
C123 H123 0.9500 .
C124 C123 1.387(9) 4_565
C124 H124 0.9500 .
C125 C122 1.382(9) 4_565
C125 H125 0.9500 .
C126 N72 1.436(9) .
C126 N82 1.471(9) .
C126 C127 1.518(10) .
C126 H126 1.0000 .
C127 C128 1.394(10) .
C127 C130 1.399(9) .
C128 C129 1.381(9) .
C128 H128 0.9500 .
C129 C128 1.381(9) 4_565
C129 H129 0.9500 .
C130 C127 1.399(9) 4_565
C130 H130 0.9500 .
N51 N52 1.359(8) .
N61 N62 1.360(9) .
N71 N72 1.363(8) .
N81 N82 1.344(8) .
Cl1 O13 1.386(6) .
Cl1 O11 1.421(6) .
Cl1 O12 1.427(5) .
Cl1 O14 1.430(6) .
Cl2A O23A 1.413(15) .
Cl2A O22A 1.418(14) .
Cl2A O21A 1.427(14) .
Cl2A O24A 1.434(15) .
Cl2B O23B 1.402(13) .
Cl2B O24B 1.417(15) .
Cl2B O21B 1.438(13) .
Cl2B O22B 1.442(13) .
Cl3A O31A 1.410(14) .
Cl3A O33A 1.417(13) .
Cl3A O34A 1.426(14) .
Cl3A O32A 1.450(13) .
Cl3B O31B 1.411(13) .
Cl3B O33B 1.419(12) .
Cl3B O32B 1.447(13) .
Cl3B O34B 1.454(14) .
N91 C91 1.117(11) .
C91 C92 1.435(13) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
N92 C93 1.102(19) .
C93 C94 1.42(2) .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
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_4
N12 C11 C12 C13 -1.8(10) . .
C11 C12 C13 N11 0.8(11) . .
N22 C21 C22 C23 -1.5(11) . .
C21 C22 C23 N21 0.8(11) . .
N32 C31 C32 C33 -1.2(9) . .
C31 C32 C33 N31 0.9(10) . .
N42 C41 C42 C43 -0.1(9) . .
C41 C42 C43 N41 0.2(10) . .
N22 C111 C112 C117 23.5(10) . .
N12 C111 C112 C117 146.3(7) . .
N22 C111 C112 C113 -156.4(7) . .
N12 C111 C112 C113 -33.6(10) . .
C117 C112 C113 C114 1.1(12) . .
C111 C112 C113 C114 -178.9(8) . .
C112 C113 C114 C115 -2.9(15) . .
C113 C114 C115 C116 2.2(14) . .
C114 C115 C116 C117 0.2(13) . .
C114 C115 C116 C118 179.5(8) . .
C115 C116 C117 C112 -2.0(12) . .
C118 C116 C117 C112 178.8(7) . .
C113 C112 C117 C116 1.3(12) . .
C111 C112 C117 C116 -178.7(7) . .
C117 C116 C118 N32 -147.8(7) . .
C115 C116 C118 N32 32.9(10) . .
C117 C116 C118 N42 -23.2(10) . .
C115 C116 C118 N42 157.6(7) . .
C12 C13 N11 N12 0.5(9) . .
C12 C13 N11 Zn1 -159.8(6) . .
O1 Zn1 N11 C13 -144.3(9) 3_666 .
O1 Zn1 N11 C13 -123.1(9) . .
N31 Zn1 N11 C13 47.5(7) 3_666 .
N41 Zn1 N11 C13 -38.7(7) 3_666 .
N21 Zn1 N11 C13 138.1(7) . .
O1 Zn1 N11 N12 58.8(9) 3_666 .
O1 Zn1 N11 N12 79.9(9) . .
N31 Zn1 N11 N12 -109.4(6) 3_666 .
N41 Zn1 N11 N12 164.4(6) 3_666 .
N21 Zn1 N11 N12 -18.9(6) . .
C12 C11 N12 N11 2.3(10) . .
C12 C11 N12 C111 -176.3(8) . .
C13 N11 N12 C11 -1.7(9) . .
Zn1 N11 N12 C11 160.0(5) . .
C13 N11 N12 C111 177.0(7) . .
Zn1 N11 N12 C111 -21.3(10) . .
N22 C111 N12 C11 -112.4(9) . .
C112 C111 N12 C11 122.9(8) . .
N22 C111 N12 N11 69.1(9) . .
C112 C111 N12 N11 -55.6(9) . .
C22 C23 N21 N22 0.2(9) . .
C22 C23 N21 Zn1 174.6(6) . .
O1 Zn1 N21 C23 71.3(9) 3_666 .
O1 Zn1 N21 C23 80.8(9) . .
N11 Zn1 N21 C23 -150.9(8) . .
N31 Zn1 N21 C23 -54.7(8) 3_666 .
O1 Zn1 N21 N22 -115.1(8) 3_666 .
O1 Zn1 N21 N22 -105.6(8) . .
N11 Zn1 N21 N22 22.7(5) . .
N31 Zn1 N21 N22 118.9(5) 3_666 .
C22 C21 N22 N21 1.7(10) . .
C22 C21 N22 C111 170.6(8) . .
C23 N21 N22 C21 -1.2(9) . .
Zn1 N21 N22 C21 -176.4(5) . .
C23 N21 N22 C111 -171.2(7) . .
Zn1 N21 N22 C111 13.6(9) . .
N12 C111 N22 C21 129.0(9) . .
C112 C111 N22 C21 -106.9(9) . .
N12 C111 N22 N21 -62.9(9) . .
C112 C111 N22 N21 61.2(9) . .
C32 C33 N31 N32 -0.3(9) . .
C32 C33 N31 Zn1 155.4(6) . 3_666
C32 C31 N32 N31 1.1(9) . .
C32 C31 N32 C118 -179.6(7) . .
C33 N31 N32 C31 -0.5(8) . .
Zn1 N31 N32 C31 -157.2(5) 3_666 .
C33 N31 N32 C118 -179.9(6) . .
Zn1 N31 N32 C118 23.4(9) 3_666 .
N42 C118 N32 C31 110.8(8) . .
C116 C118 N32 C31 -123.7(8) . .
N42 C118 N32 N31 -70.0(8) . .
C116 C118 N32 N31 55.5(9) . .
C42 C43 N41 N42 -0.2(9) . .
C42 C43 N41 Zn1 -170.4(5) . 3_666
C42 C41 N42 N41 0.0(9) . .
C42 C41 N42 C118 -179.8(7) . .
C43 N41 N42 C41 0.1(8) . .
Zn1 N41 N42 C41 171.3(5) 3_666 .
C43 N41 N42 C118 179.9(6) . .
Zn1 N41 N42 C118 -8.9(9) 3_666 .
N32 C118 N42 C41 -120.2(8) . .
C116 C118 N42 C41 114.1(9) . .
N32 C118 N42 N41 60.1(8) . .
C116 C118 N42 N41 -65.6(8) . .
N51 Zn2 O2 Zn2 -113.8(19) . 4_565
N52 C51 C52 C53 1.6(10) . .
C51 C52 C53 N51 -0.6(10) . .
N62 C61 C62 C63 0.9(10) . .
C61 C62 C63 N61 -0.9(11) . .
N72 C71 C72 C73 -0.4(9) . .
C71 C72 C73 N71 -0.2(10) . .
N82 C81 C82 C83 -1.0(10) . .
C81 C82 C83 N81 1.3(11) . .
N62 C121 C122 C123 -147.2(7) . .
N52 C121 C122 C123 -23.3(11) . .
N62 C121 C122 C125 30.5(11) . .
N52 C121 C122 C125 154.5(8) . .
C125 C122 C123 C124 1.3(13) . .
C121 C122 C123 C124 179.0(8) . .
C122 C123 C124 C123 -2.2(16) . 4_565
C123 C122 C125 C122 -0.3(16) . 4_565
C121 C122 C125 C122 -178.0(6) . 4_565
N72 C126 C127 C128 -23.7(10) . .
N82 C126 C127 C128 -146.7(7) . .
N72 C126 C127 C130 157.5(8) . .
N82 C126 C127 C130 34.5(10) . .
C130 C127 C128 C129 -2.6(12) . .
C126 C127 C128 C129 178.5(8) . .
C127 C128 C129 C128 1.7(16) . 4_565
C128 C127 C130 C127 3.5(15) . 4_565
C126 C127 C130 C127 -177.6(6) . 4_565
C52 C53 N51 N52 -0.6(9) . .
C52 C53 N51 Zn2 -161.4(6) . .
O2 Zn2 N51 C53 -125.6(7) . .
N71 Zn2 N51 C53 45.4(7) . .
N61 Zn2 N51 C53 137.3(7) . .
N81 Zn2 N51 C53 -38.4(7) . .
O2 Zn2 N51 N52 76.4(7) . .
N71 Zn2 N51 N52 -112.6(6) . .
N61 Zn2 N51 N52 -20.7(6) . .
N81 Zn2 N51 N52 163.7(6) . .
C53 N51 N52 C51 1.6(8) . .
Zn2 N51 N52 C51 164.6(5) . .
C53 N51 N52 C121 176.5(7) . .
Zn2 N51 N52 C121 -20.5(9) . .
C52 C51 N52 N51 -2.0(9) . .
C52 C51 N52 C121 -176.2(7) . .
N62 C121 N52 N51 69.0(8) . .
C122 C121 N52 N51 -55.9(9) . .
N62 C121 N52 C51 -117.2(8) . .
C122 C121 N52 C51 117.9(9) . .
C62 C63 N61 N62 0.6(10) . .
C62 C63 N61 Zn2 179.5(6) . .
O2 Zn2 N61 C63 77.9(8) . .
N51 Zn2 N61 C63 -151.9(8) . .
N71 Zn2 N61 C63 -58.7(8) . .
O2 Zn2 N61 N62 -103.3(6) . .
N51 Zn2 N61 N62 26.8(6) . .
N71 Zn2 N61 N62 120.0(6) . .
C62 C61 N62 N61 -0.6(10) . .
C62 C61 N62 C121 171.0(8) . .
C63 N61 N62 C61 0.0(9) . .
Zn2 N61 N62 C61 -179.1(5) . .
C63 N61 N62 C121 -172.5(7) . .
Zn2 N61 N62 C121 8.5(9) . .
N52 C121 N62 C61 127.7(8) . .
C122 C121 N62 C61 -108.3(9) . .
N52 C121 N62 N61 -61.4(9) . .
C122 C121 N62 N61 62.6(9) . .
C72 C73 N71 N72 0.6(9) . .
C72 C73 N71 Zn2 -167.0(6) . .
O2 Zn2 N71 C73 -140.4(7) . .
N51 Zn2 N71 C73 49.4(7) . .
N61 Zn2 N71 C73 -37.6(7) . .
N81 Zn2 N71 C73 139.4(7) . .
O2 Zn2 N71 N72 53.9(7) . .
N51 Zn2 N71 N72 -116.2(6) . .
N61 Zn2 N71 N72 156.8(6) . .
N81 Zn2 N71 N72 -26.2(6) . .
C72 C71 N72 N71 0.8(9) . .
C72 C71 N72 C126 -175.5(7) . .
C73 N71 N72 C71 -0.9(8) . .
Zn2 N71 N72 C71 168.1(5) . .
C73 N71 N72 C126 175.8(6) . .
Zn2 N71 N72 C126 -15.2(9) . .
N82 C126 N72 C71 -116.5(8) . .
C127 C126 N72 C71 120.3(8) . .
N82 C126 N72 N71 67.5(8) . .
C127 C126 N72 N71 -55.7(9) . .
C82 C83 N81 N82 -1.0(9) . .
C82 C83 N81 Zn2 174.5(6) . .
O2 Zn2 N81 N82 -105.3(6) . .
N51 Zn2 N81 N82 124.4(6) . .
N71 Zn2 N81 N82 31.2(6) . .
O2 Zn2 N81 C83 79.9(7) . .
N51 Zn2 N81 C83 -50.3(7) . .
N71 Zn2 N81 C83 -143.6(7) . .
C82 C81 N82 N81 0.5(9) . .
C82 C81 N82 C126 179.3(7) . .
C83 N81 N82 C81 0.3(8) . .
Zn2 N81 N82 C81 -175.8(5) . .
C83 N81 N82 C126 -178.7(6) . .
Zn2 N81 N82 C126 5.3(9) . .
N72 C126 N82 C81 120.5(8) . .
C127 C126 N82 C81 -116.0(8) . .
N72 C126 N82 N81 -60.7(8) . .
C127 C126 N82 N81 62.8(8) . .
