#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:34:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179902 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/98/7019813.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_7019813
loop_
_publ_author_name
'Escárcega-Bobadilla, Martha V'
'Anselmo, Daniele'
'Wezenberg, Sander J.'
'Escudero-Adán, Eduardo C'
'Martínez Belmonte, Marta'
'Martin, Eddy'
'Kleij, Arjan W.'
_publ_section_title
;
 Metal-directed assembly of chiral bis-Zn(ii) Schiff base structures.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9766
_journal_page_last               9772
_journal_paper_doi               10.1039/c2dt30642e
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C117.5 H99 Cl16 N8 O12 Zn6'
_chemical_formula_weight         2774.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 104.816(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.743(2)
_cell_length_b                   17.5255(15)
_cell_length_c                   24.944(2)
_cell_measurement_reflns_used    9145
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.94
_cell_measurement_theta_min      2.35
_cell_volume                     11302.2(16)
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    Sir2011
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support whith MicroMount'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            306121
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         31.87
_diffrn_reflns_theta_min         1.74
_diffrn_source                   'Micorfocus source E025 IuS'
_diffrn_source_current           0.6
_diffrn_source_power             50
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_source_type              'Bruker APEX DUO'
_exptl_absorpt_coefficient_mu    1.698
_exptl_absorpt_correction_T_max  0.8486
_exptl_absorpt_correction_T_min  0.6299
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5632
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.106
_refine_diff_density_min         -1.626
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     737
_refine_ls_number_reflns         19311
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0740P)²+68.8937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1578
_reflns_number_gt                15239
_reflns_number_total             19311
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30642e.txt
_cod_data_source_block           mo_mei059z2_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        11302.2(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7019813
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.204045(9) 0.871794(15) 0.349049(10) 0.01749(5) Uani 1 1 d . . .
Zn2 Zn -0.026058(9) 0.855990(14) 0.334031(10) 0.01576(5) Uani 1 1 d . . .
Zn3 Zn 0.084855(9) 0.856609(14) 0.315481(10) 0.01514(5) Uani 1 1 d . . .
N1 N 0.27907(7) 0.82506(11) 0.35007(8) 0.0194(4) Uani 1 1 d . . .
N2 N 0.20806(7) 0.88505(11) 0.26671(8) 0.0188(4) Uani 1 1 d . . .
N3 N -0.04381(7) 0.91928(11) 0.39443(8) 0.0192(4) Uani 1 1 d . . .
N4 N -0.05726(7) 0.77038(11) 0.38219(8) 0.0182(4) Uani 1 1 d . . .
O1 O 0.23222(6) 0.90538(11) 0.42509(7) 0.0247(4) Uani 1 1 d . . .
O2 O 0.14077(6) 0.94624(9) 0.32657(6) 0.0182(3) Uani 1 1 d . . .
O3 O 0.03106(6) 0.93503(9) 0.32933(6) 0.0175(3) Uani 1 1 d . . .
O4 O 0.03294(6) 0.78613(9) 0.34033(7) 0.0185(3) Uani 1 1 d . . .
O5 O 0.07562(6) 0.84099(9) 0.23617(6) 0.0183(3) Uani 1 1 d D . .
H5O H 0.0977(5) 0.8121(10) 0.2337(12) 0.022 Uiso 1 1 d D . .
O6 O 0.14911(6) 0.79807(10) 0.34922(7) 0.0228(3) Uani 1 1 d D . .
H6O H 0.1508(12) 0.7629(8) 0.3698(8) 0.027 Uiso 1 1 d D . .
C1 C 0.27844(9) 0.89599(14) 0.45846(9) 0.0218(4) Uani 1 1 d . . .
C2 C 0.28571(10) 0.91934(17) 0.51415(10) 0.0281(5) Uani 1 1 d . . .
H2 H 0.2579 0.9432 0.5249 0.034 Uiso 1 1 calc R . .
C3 C 0.33188(10) 0.90857(17) 0.55343(11) 0.0299(6) Uani 1 1 d . . .
H3 H 0.3346 0.9225 0.5909 0.036 Uiso 1 1 calc R . .
C4 C 0.37459(10) 0.87744(15) 0.53880(11) 0.0275(5) Uani 1 1 d . . .
H4 H 0.4062 0.8690 0.5659 0.033 Uiso 1 1 calc R . .
C5 C 0.36959(9) 0.85926(14) 0.48392(10) 0.0243(5) Uani 1 1 d . . .
H5 H 0.3992 0.8417 0.4733 0.029 Uiso 1 1 calc R . .
C6 C 0.32236(9) 0.86557(13) 0.44275(9) 0.0203(4) Uani 1 1 d . . .
C7 C 0.32185(8) 0.84208(12) 0.38602(9) 0.0192(4) Uani 1 1 d . . .
C8 C 0.37184(8) 0.84433(13) 0.36919(10) 0.0212(4) Uani 1 1 d . . .
C9 C 0.40894(9) 0.78641(14) 0.38079(11) 0.0246(5) Uani 1 1 d . . .
H9 H 0.4048 0.7445 0.4035 0.030 Uiso 1 1 calc R . .
C10 C 0.45207(9) 0.79016(16) 0.35903(12) 0.0306(6) Uani 1 1 d . . .
H10 H 0.4770 0.7504 0.3665 0.037 Uiso 1 1 calc R . .
C11 C 0.45864(10) 0.85112(17) 0.32680(13) 0.0331(6) Uani 1 1 d . . .
H11 H 0.4878 0.8530 0.3117 0.040 Uiso 1 1 calc R . .
C12 C 0.42258(11) 0.91016(17) 0.31633(12) 0.0321(6) Uani 1 1 d . . .
H12 H 0.4275 0.9528 0.2947 0.038 Uiso 1 1 calc R . .
C13 C 0.37935(9) 0.90663(15) 0.33748(11) 0.0258(5) Uani 1 1 d . . .
H13 H 0.3548 0.9469 0.3303 0.031 Uiso 1 1 calc R . .
C14 C 0.27868(8) 0.79859(13) 0.29595(9) 0.0188(4) Uani 1 1 d . . .
C15 C 0.30891(9) 0.73845(14) 0.28524(10) 0.0223(5) Uani 1 1 d . . .
H15 H 0.3334 0.7147 0.3150 0.027 Uiso 1 1 calc R . .
C16 C 0.30336(10) 0.71326(15) 0.23138(11) 0.0263(5) Uani 1 1 d . . .
H16 H 0.3243 0.6727 0.2243 0.032 Uiso 1 1 calc R . .
C17 C 0.26722(10) 0.74714(15) 0.18762(11) 0.0279(5) Uani 1 1 d . . .
H17 H 0.2642 0.7306 0.1507 0.033 Uiso 1 1 calc R . .
C18 C 0.23566(9) 0.80480(15) 0.19785(10) 0.0244(5) Uani 1 1 d . . .
H18 H 0.2103 0.8268 0.1681 0.029 Uiso 1 1 calc R . .
C19 C 0.24098(8) 0.83081(13) 0.25191(9) 0.0193(4) Uani 1 1 d . . .
C20 C 0.18620(8) 0.93654(13) 0.23107(9) 0.0199(4) Uani 1 1 d . . .
H20 H 0.1963 0.9382 0.1973 0.024 Uiso 1 1 calc R . .
C21 C 0.14821(8) 0.99125(12) 0.23753(9) 0.0187(4) Uani 1 1 d . . .
C22 C 0.13008(9) 1.04182(14) 0.19305(10) 0.0219(4) Uani 1 1 d . . .
H22 H 0.1444 1.0394 0.1619 0.026 Uiso 1 1 calc R . .
C23 C 0.09220(9) 1.09469(14) 0.19338(10) 0.0242(5) Uani 1 1 d . . .
H23 H 0.0799 1.1279 0.1627 0.029 Uiso 1 1 calc R . .
C24 C 0.07215(9) 1.09842(13) 0.23997(10) 0.0228(5) Uani 1 1 d . . .
H24 H 0.0465 1.1355 0.2409 0.027 Uiso 1 1 calc R . .
C25 C 0.08862(8) 1.04960(12) 0.28475(10) 0.0197(4) Uani 1 1 d . . .
C26 C 0.12691(8) 0.99363(12) 0.28438(9) 0.0174(4) Uani 1 1 d . . .
C27 C 0.06899(8) 1.05961(13) 0.33494(10) 0.0202(4) Uani 1 1 d . . .
C28 C 0.07947(9) 1.12883(13) 0.36279(12) 0.0252(5) Uani 1 1 d . . .
H28 H 0.0990 1.1660 0.3493 0.030 Uiso 1 1 calc R . .
C29 C 0.06241(10) 1.14587(14) 0.40975(12) 0.0284(5) Uani 1 1 d . . .
H29 H 0.0717 1.1924 0.4293 0.034 Uiso 1 1 calc R . .
C30 C 0.03168(9) 1.09321(14) 0.42677(11) 0.0254(5) Uani 1 1 d . . .
H30 H 0.0191 1.1042 0.4582 0.031 Uiso 1 1 calc R . .
C31 C 0.01826(9) 1.02313(13) 0.39876(9) 0.0204(4) Uani 1 1 d . . .
C32 C 0.03939(8) 1.00297(12) 0.35350(9) 0.0184(4) Uani 1 1 d . . .
C33 C -0.01984(9) 0.98003(13) 0.41728(9) 0.0208(4) Uani 1 1 d . . .
H33 H -0.0284 0.9979 0.4498 0.025 Uiso 1 1 calc R . .
C34 C -0.08400(9) 0.88765(14) 0.41488(9) 0.0206(4) Uani 1 1 d . . .
C35 C -0.11742(10) 0.93214(15) 0.43683(10) 0.0262(5) Uani 1 1 d . . .
H35 H -0.1125 0.9858 0.4402 0.031 Uiso 1 1 calc R . .
C36 C -0.15762(10) 0.89823(18) 0.45366(11) 0.0303(6) Uani 1 1 d . . .
H36 H -0.1799 0.9284 0.4692 0.036 Uiso 1 1 calc R . .
C37 C -0.16531(10) 0.82013(17) 0.44775(11) 0.0294(5) Uani 1 1 d . . .
H37 H -0.1931 0.7970 0.4591 0.035 Uiso 1 1 calc R . .
C38 C -0.13279(9) 0.77520(15) 0.42534(10) 0.0255(5) Uani 1 1 d . . .
H38 H -0.1388 0.7219 0.4211 0.031 Uiso 1 1 calc R . .
C39 C -0.09124(8) 0.80794(14) 0.40904(9) 0.0204(4) Uani 1 1 d . . .
C40 C -0.04035(8) 0.70137(13) 0.39180(9) 0.0184(4) Uani 1 1 d . . .
C41 C -0.05121(8) 0.65062(13) 0.43612(9) 0.0196(4) Uani 1 1 d . . .
C42 C -0.09229(9) 0.59912(15) 0.42609(11) 0.0265(5) Uani 1 1 d . . .
H42 H -0.1168 0.5988 0.3910 0.032 Uiso 1 1 calc R . .
C43 C -0.09762(10) 0.54836(15) 0.46687(12) 0.0297(5) Uani 1 1 d . . .
H43 H -0.1263 0.5144 0.4602 0.036 Uiso 1 1 calc R . .
C44 C -0.06082(12) 0.54732(16) 0.51758(12) 0.0329(6) Uani 1 1 d . . .
H44 H -0.0636 0.5114 0.5452 0.039 Uiso 1 1 calc R . .
C45 C -0.02016(12) 0.59847(17) 0.52791(11) 0.0331(6) Uani 1 1 d . . .
H45 H 0.0047 0.5980 0.5627 0.040 Uiso 1 1 calc R . .
C46 C -0.01566(10) 0.65068(14) 0.48728(10) 0.0251(5) Uani 1 1 d . . .
H46 H 0.0119 0.6865 0.4948 0.030 Uiso 1 1 calc R . .
C47 C -0.00586(8) 0.66774(13) 0.36042(9) 0.0185(4) Uani 1 1 d . . .
C48 C -0.00503(9) 0.58711(13) 0.35585(10) 0.0227(5) Uani 1 1 d . . .
H48 H -0.0265 0.5578 0.3730 0.027 Uiso 1 1 calc R . .
C49 C 0.02555(9) 0.54967(14) 0.32760(11) 0.0256(5) Uani 1 1 d . . .
H49 H 0.0249 0.4956 0.3252 0.031 Uiso 1 1 calc R . .
C50 C 0.05760(9) 0.59204(14) 0.30250(11) 0.0239(5) Uani 1 1 d . . .
H50 H 0.0788 0.5669 0.2826 0.029 Uiso 1 1 calc R . .
C51 C 0.05833(8) 0.67060(13) 0.30675(10) 0.0202(4) Uani 1 1 d . . .
H51 H 0.0803 0.6988 0.2895 0.024 Uiso 1 1 calc R . .
C52 C 0.02786(8) 0.71040(12) 0.33567(9) 0.0170(4) Uani 1 1 d . . .
C1S C 0.27841(10) 0.57447(16) 0.10731(11) 0.0316(6) Uani 1 1 d D . .
H1S1 H 0.3063 0.6073 0.1294 0.038 Uiso 1 1 calc R . .
H1S2 H 0.2945 0.5284 0.0960 0.038 Uiso 1 1 calc R . .
Cl1S Cl 0.24395(4) 0.62446(5) 0.04789(4) 0.0498(2) Uani 1 1 d D . .
Cl2S Cl 0.23582(3) 0.54728(4) 0.14837(3) 0.03646(15) Uani 1 1 d D . .
C1T C 0.1170(3) 0.6088(4) 0.8776(3) 0.0923(19) Uani 1 1 d . . .
H1T1 H 0.0935 0.6249 0.9004 0.111 Uiso 1 1 calc R . .
H1T2 H 0.1117 0.5535 0.8703 0.111 Uiso 1 1 calc R . .
C2T C 0.1682(2) 0.6212(3) 0.9078(2) 0.0734(15) Uani 1 1 d . . .
H2T1 H 0.1917 0.6104 0.8839 0.088 Uiso 1 1 calc R . .
H2T2 H 0.1769 0.5855 0.9396 0.088 Uiso 1 1 calc R . .
Cl1T Cl 0.10072(4) 0.65718(8) 0.81536(5) 0.0639(3) Uani 1 1 d . . .
Cl2T Cl 0.17813(5) 0.71654(6) 0.93283(4) 0.0556(2) Uani 1 1 d . . .
C1U C 0.16136(10) 0.83588(17) 0.50108(11) 0.0366(6) Uani 1 1 d D . .
H1U1 H 0.1897 0.8501 0.4841 0.044 Uiso 1 1 calc R . .
H1U2 H 0.1581 0.7796 0.4997 0.044 Uiso 1 1 calc R . .
C2U C 0.11185(11) 0.87094(19) 0.46838(11) 0.0423(7) Uani 1 1 d D . .
H2U1 H 0.1054 0.8550 0.4291 0.051 Uiso 1 1 calc R . .
H2U2 H 0.1152 0.9272 0.4698 0.051 Uiso 1 1 calc R . .
Cl1U Cl 0.17710(3) 0.86669(5) 0.57164(3) 0.04415(18) Uani 1 1 d D . .
Cl2U Cl 0.05822(3) 0.84372(5) 0.49405(3) 0.04376(18) Uani 1 1 d D . .
C1V C 0.18770(12) 0.64854(18) 0.28971(13) 0.0287(7) Uani 0.75 1 d PDU A 1
H1V1 H 0.2075 0.6968 0.2980 0.034 Uiso 0.75 1 calc PR A 1
H1V2 H 0.1673 0.6423 0.3174 0.034 Uiso 0.75 1 calc PR A 1
C2V C 0.22467(11) 0.58276(16) 0.29416(15) 0.0286(6) Uani 0.75 1 d PDU A 1
H2V1 H 0.2517 0.5866 0.3295 0.034 Uiso 0.75 1 calc PR A 1
H2V2 H 0.2418 0.5855 0.2634 0.034 Uiso 0.75 1 calc PR A 1
Cl1V Cl 0.14502(5) 0.65370(10) 0.22195(5) 0.0464(2) Uani 0.75 1 d PDU A 1
Cl2V Cl 0.19223(4) 0.49372(5) 0.29145(5) 0.0422(2) Uani 0.75 1 d PDU A 1
C1V" C 0.1952(3) 0.6419(3) 0.2754(3) 0.0287(7) Uani 0.25 1 d PDU B 2
H1V3 H 0.1890 0.6716 0.3069 0.034 Uiso 0.25 1 calc PR B 2
H1V4 H 0.2285 0.6588 0.2690 0.034 Uiso 0.25 1 calc PR B 2
Cl1" Cl 0.14471(19) 0.6587(3) 0.21543(18) 0.0464(2) Uani 0.25 1 d PDU B 2
Cl2" Cl 0.19850(12) 0.54291(15) 0.29201(15) 0.0422(2) Uani 0.25 1 d PDU B 2
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
O1 Zn1 O6 107.55(8) .
O1 Zn1 O2 99.06(7) .
O6 Zn1 O2 81.74(7) .
O1 Zn1 N2 144.87(8) .
O6 Zn1 N2 107.56(7) .
O2 Zn1 N2 84.78(7) .
O1 Zn1 N1 88.64(7) .
O6 Zn1 N1 116.42(7) .
O2 Zn1 N1 157.28(7) .
N2 Zn1 N1 76.91(7) .
O1 Zn1 Zn3 113.92(5) .
O6 Zn1 Zn3 38.89(5) .
O2 Zn1 Zn3 43.59(4) .
N2 Zn1 Zn3 92.97(5) .
N1 Zn1 Zn3 149.31(5) .
O5 Zn2 O4 109.79(7) 2
O5 Zn2 N3 120.95(7) 2
O4 Zn2 N3 128.08(7) .
O5 Zn2 O3 112.53(7) 2
O4 Zn2 O3 80.46(6) .
N3 Zn2 O3 89.57(7) .
O5 Zn2 N4 97.68(7) 2
O4 Zn2 N4 86.61(7) .
N3 Zn2 N4 76.98(8) .
O3 Zn2 N4 149.63(6) .
O5 Zn2 Zn3 108.99(5) 2
O4 Zn2 Zn3 40.65(5) .
N3 Zn2 Zn3 121.48(5) .
O3 Zn2 Zn3 41.54(4) .
N4 Zn2 Zn3 126.01(5) .
O5 Zn3 O6 103.18(7) .
O5 Zn3 O4 107.44(7) .
O6 Zn3 O4 97.95(7) .
O5 Zn3 O3 110.34(6) .
O6 Zn3 O3 145.85(7) .
O4 Zn3 O3 78.41(6) .
O5 Zn3 O2 97.90(7) .
O6 Zn3 O2 79.89(6) .
O4 Zn3 O2 154.31(6) .
O3 Zn3 O2 89.07(6) .
O5 Zn3 Zn1 98.11(5) .
O6 Zn3 Zn1 38.06(5) .
O4 Zn3 Zn1 133.99(4) .
O3 Zn3 Zn1 127.33(4) .
O2 Zn3 Zn1 42.55(4) .
O5 Zn3 Zn2 105.77(5) .
O6 Zn3 Zn2 133.31(5) .
O4 Zn3 Zn2 38.39(4) .
O3 Zn3 Zn2 41.69(4) .
O2 Zn3 Zn2 130.11(5) .
Zn1 Zn3 Zn2 156.076(11) .
C7 N1 C14 121.5(2) .
C7 N1 Zn1 125.03(16) .
C14 N1 Zn1 109.29(13) .
C20 N2 C19 119.5(2) .
C20 N2 Zn1 128.45(17) .
C19 N2 Zn1 111.97(14) .
C33 N3 C34 119.9(2) .
C33 N3 Zn2 126.41(17) .
C34 N3 Zn2 113.47(15) .
C40 N4 C39 125.6(2) .
C40 N4 Zn2 124.91(16) .
C39 N4 Zn2 108.48(14) .
C1 O1 Zn1 130.39(16) .
C26 O2 Zn1 130.48(14) .
C26 O2 Zn3 108.37(12) .
Zn1 O2 Zn3 93.86(6) .
C32 O3 Zn3 128.67(13) .
C32 O3 Zn2 127.58(14) .
Zn3 O3 Zn2 96.77(6) .
C52 O4 Zn2 123.26(13) .
C52 O4 Zn3 128.92(14) .
Zn2 O4 Zn3 100.96(7) .
Zn2 O5 Zn3 141.55(9) 2
Zn1 O6 Zn3 103.06(8) .
O1 C1 C2 117.2(2) .
O1 C1 C6 125.3(2) .
C2 C1 C6 117.4(2) .
C3 C2 C1 122.1(3) .
C2 C3 C4 120.8(2) .
C5 C4 C3 118.1(2) .
C4 C5 C6 123.0(2) .
C5 C6 C1 118.2(2) .
C5 C6 C7 117.6(2) .
C1 C6 C7 124.12(19) .
N1 C7 C6 121.3(2) .
N1 C7 C8 120.3(2) .
C6 C7 C8 118.18(19) .
C13 C8 C9 119.3(2) .
C13 C8 C7 116.6(2) .
C9 C8 C7 124.0(2) .
C10 C9 C8 119.9(2) .
C11 C10 C9 120.4(2) .
C10 C11 C12 120.1(3) .
C13 C12 C11 119.9(3) .
C12 C13 C8 120.4(2) .
C15 C14 C19 119.3(2) .
C15 C14 N1 124.3(2) .
C19 C14 N1 116.1(2) .
C16 C15 C14 120.2(2) .
C15 C16 C17 120.3(2) .
C18 C17 C16 120.1(2) .
C17 C18 C19 120.1(2) .
C18 C19 C14 120.0(2) .
C18 C19 N2 123.9(2) .
C14 C19 N2 116.0(2) .
N2 C20 C21 126.6(2) .
C22 C21 C26 119.9(2) .
C22 C21 C20 116.3(2) .
C26 C21 C20 123.7(2) .
C23 C22 C21 121.8(2) .
C22 C23 C24 118.4(2) .
C25 C24 C23 122.0(2) .
C24 C25 C26 120.1(2) .
C24 C25 C27 119.9(2) .
C26 C25 C27 119.8(2) .
O2 C26 C25 119.1(2) .
O2 C26 C21 123.12(19) .
C25 C26 C21 117.8(2) .
C28 C27 C32 120.4(2) .
C28 C27 C25 117.0(2) .
C32 C27 C25 122.6(2) .
C27 C28 C29 122.6(2) .
C30 C29 C28 117.8(2) .
C29 C30 C31 121.8(2) .
C30 C31 C32 120.2(2) .
C30 C31 C33 114.2(2) .
C32 C31 C33 125.4(2) .
O3 C32 C27 121.5(2) .
O3 C32 C31 121.7(2) .
C27 C32 C31 116.8(2) .
N3 C33 C31 127.0(2) .
C35 C34 C39 120.5(2) .
C35 C34 N3 122.9(2) .
C39 C34 N3 116.5(2) .
C36 C35 C34 120.2(2) .
C35 C36 C37 119.8(3) .
C36 C37 C38 120.7(2) .
C37 C38 C39 120.6(3) .
C38 C39 C34 118.2(2) .
C38 C39 N4 126.7(2) .
C34 C39 N4 114.8(2) .
N4 C40 C47 120.8(2) .
N4 C40 C41 124.5(2) .
C47 C40 C41 114.69(19) .
C46 C41 C42 119.4(2) .
C46 C41 C40 117.5(2) .
C42 C41 C40 122.9(2) .
C43 C42 C41 120.5(2) .
C42 C43 C44 119.6(2) .
C45 C44 C43 120.1(2) .
C44 C45 C46 120.0(2) .
C41 C46 C45 120.3(2) .
C48 C47 C52 117.5(2) .
C48 C47 C40 117.7(2) .
C52 C47 C40 124.7(2) .
C49 C48 C47 122.7(2) .
C48 C49 C50 119.3(2) .
C51 C50 C49 119.6(2) .
C50 C51 C52 122.4(2) .
O4 C52 C51 118.6(2) .
O4 C52 C47 123.0(2) .
C51 C52 C47 118.4(2) .
Cl1S C1S Cl2S 110.03(14) .
C2T C1T Cl1T 113.3(5) .
C1T C2T Cl2T 111.8(4) .
C2U C1U Cl1U 111.4(2) .
C1U C2U Cl2U 112.1(2) .
C2V C1V Cl1V 111.0(2) .
C1V C2V Cl2V 111.4(2) .
Cl1" C1V" Cl2" 109.9(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.9445(17) .
Zn1 O6 1.9573(17) .
Zn1 O2 2.0963(15) .
Zn1 N2 2.097(2) .
Zn1 N1 2.1613(19) .
Zn1 Zn3 3.0931(4) .
Zn2 O5 1.9250(15) 2
Zn2 O4 1.9714(16) .
Zn2 N3 2.023(2) .
Zn2 O3 2.0874(16) .
Zn2 N4 2.2142(19) .
Zn2 Zn3 3.1168(4) .
Zn3 O5 1.9492(16) .
Zn3 O6 1.9934(16) .
Zn3 O4 2.0682(16) .
Zn3 O3 2.0813(16) .
Zn3 O2 2.1375(16) .
N1 C7 1.295(3) .
N1 C14 1.425(3) .
N2 C20 1.296(3) .
N2 C19 1.408(3) .
N3 C33 1.297(3) .
N3 C34 1.415(3) .
N4 C40 1.292(3) .
N4 C39 1.421(3) .
O1 C1 1.312(3) .
O2 C26 1.317(3) .
O3 C32 1.327(3) .
O4 C52 1.336(3) .
O5 Zn2 1.9249(15) 2
C1 C2 1.413(3) .
C1 C6 1.433(3) .
C2 C3 1.379(3) .
C3 C4 1.396(4) .
C4 C5 1.378(4) .
C5 C6 1.414(3) .
C6 C7 1.470(3) .
C7 C8 1.501(3) .
C8 C13 1.392(4) .
C8 C9 1.397(3) .
C9 C10 1.396(4) .
C10 C11 1.375(4) .
C11 C12 1.393(4) .
C12 C13 1.390(4) .
C14 C15 1.395(3) .
C14 C19 1.406(3) .
C15 C16 1.386(3) .
C16 C17 1.392(4) .
C17 C18 1.381(4) .
C18 C19 1.396(3) .
C20 C21 1.436(3) .
C21 C22 1.406(3) .
C21 C26 1.426(3) .
C22 C23 1.374(3) .
C23 C24 1.400(4) .
C24 C25 1.386(3) .
C25 C26 1.420(3) .
C25 C27 1.487(3) .
C27 C28 1.390(3) .
C27 C32 1.419(3) .
C28 C29 1.394(4) .
C29 C30 1.373(4) .
C30 C31 1.413(3) .
C31 C32 1.430(3) .
C31 C33 1.436(3) .
C34 C35 1.399(3) .
C34 C39 1.413(3) .
C35 C36 1.384(4) .
C36 C37 1.386(4) .
C37 C38 1.392(4) .
C38 C39 1.400(3) .
C40 C47 1.476(3) .
C40 C41 1.504(3) .
C41 C46 1.383(3) .
C41 C42 1.394(3) .
C42 C43 1.386(4) .
C43 C44 1.390(4) .
C44 C45 1.382(4) .
C45 C46 1.393(4) .
C47 C48 1.418(3) .
C47 C52 1.428(3) .
C48 C49 1.375(4) .
C49 C50 1.397(4) .
C50 C51 1.381(3) .
C51 C52 1.404(3) .
C1S Cl1S 1.765(3) .
C1S Cl2S 1.780(3) .
C1T C2T 1.402(8) .
C1T Cl1T 1.725(6) .
C2T Cl2T 1.779(4) .
C1U C2U 1.498(4) .
C1U Cl1U 1.785(3) .
C2U Cl2U 1.779(3) .
C1V C2V 1.504(4) .
C1V Cl1V 1.784(3) .
C2V Cl2V 1.778(3) .
C1V" Cl1" 1.765(5) .
C1V" Cl2" 1.781(5) .
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
O1 Zn1 Zn3 O5 170.38(8) . .
O6 Zn1 Zn3 O5 -101.03(10) . .
O2 Zn1 Zn3 O5 92.86(8) . .
N2 Zn1 Zn3 O5 13.61(7) . .
N1 Zn1 Zn3 O5 -55.48(12) . .
O1 Zn1 Zn3 O6 -88.59(11) . .
O2 Zn1 Zn3 O6 -166.10(11) . .
N2 Zn1 Zn3 O6 114.65(10) . .
N1 Zn1 Zn3 O6 45.55(14) . .
O1 Zn1 Zn3 O4 -65.67(9) . .
O6 Zn1 Zn3 O4 22.92(11) . .
O2 Zn1 Zn3 O4 -143.19(9) . .
N2 Zn1 Zn3 O4 137.56(8) . .
N1 Zn1 Zn3 O4 68.47(13) . .
O1 Zn1 Zn3 O3 46.98(9) . .
O6 Zn1 Zn3 O3 135.57(10) . .
O2 Zn1 Zn3 O3 -30.53(9) . .
N2 Zn1 Zn3 O3 -109.78(8) . .
N1 Zn1 Zn3 O3 -178.88(12) . .
O1 Zn1 Zn3 O2 77.51(9) . .
O6 Zn1 Zn3 O2 166.10(11) . .
N2 Zn1 Zn3 O2 -79.25(8) . .
N1 Zn1 Zn3 O2 -148.35(12) . .
O1 Zn1 Zn3 Zn2 -6.38(7) . .
O6 Zn1 Zn3 Zn2 82.21(9) . .
O2 Zn1 Zn3 Zn2 -83.89(7) . .
N2 Zn1 Zn3 Zn2 -163.14(6) . .
N1 Zn1 Zn3 Zn2 127.77(11) . .
O5 Zn2 Zn3 O5 -0.21(2) 2 .
O4 Zn2 Zn3 O5 98.34(9) . .
N3 Zn2 Zn3 O5 -148.27(8) . .
O3 Zn2 Zn3 O5 -103.07(8) . .
N4 Zn2 Zn3 O5 114.92(8) . .
O5 Zn2 Zn3 O6 -126.49(9) 2 .
O4 Zn2 Zn3 O6 -27.93(10) . .
N3 Zn2 Zn3 O6 85.45(10) . .
O3 Zn2 Zn3 O6 130.66(10) . .
N4 Zn2 Zn3 O6 -11.35(9) . .
O5 Zn2 Zn3 O4 -98.55(9) 2 .
N3 Zn2 Zn3 O4 113.38(10) . .
O3 Zn2 Zn3 O4 158.59(10) . .
N4 Zn2 Zn3 O4 16.58(9) . .
O5 Zn2 Zn3 O3 102.85(8) 2 .
O4 Zn2 Zn3 O3 -158.59(10) . .
N3 Zn2 Zn3 O3 -45.21(9) . .
N4 Zn2 Zn3 O3 -142.01(9) . .
O5 Zn2 Zn3 O2 114.91(8) 2 .
O4 Zn2 Zn3 O2 -146.53(9) . .
N3 Zn2 Zn3 O2 -33.15(9) . .
O3 Zn2 Zn3 O2 12.06(8) . .
N4 Zn2 Zn3 O2 -129.95(8) . .
O5 Zn2 Zn3 Zn1 176.45(6) 2 .
O4 Zn2 Zn3 Zn1 -85.00(8) . .
N3 Zn2 Zn3 Zn1 28.39(7) . .
O3 Zn2 Zn3 Zn1 73.59(7) . .
N4 Zn2 Zn3 Zn1 -68.42(7) . .
O1 Zn1 N1 C7 -16.5(2) . .
O6 Zn1 N1 C7 -125.49(19) . .
O2 Zn1 N1 C7 94.0(2) . .
N2 Zn1 N1 C7 131.2(2) . .
Zn3 Zn1 N1 C7 -155.52(15) . .
O1 Zn1 N1 C14 -173.58(15) . .
O6 Zn1 N1 C14 77.46(16) . .
O2 Zn1 N1 C14 -63.0(2) . .
N2 Zn1 N1 C14 -25.86(14) . .
Zn3 Zn1 N1 C14 47.4(2) . .
O1 Zn1 N2 C20 -82.9(2) . .
O6 Zn1 N2 C20 95.1(2) . .
O2 Zn1 N2 C20 15.46(19) . .
N1 Zn1 N2 C20 -151.0(2) . .
Zn3 Zn1 N2 C20 58.32(19) . .
O1 Zn1 N2 C19 94.51(18) . .
O6 Zn1 N2 C19 -87.54(15) . .
O2 Zn1 N2 C19 -167.16(15) . .
N1 Zn1 N2 C19 26.39(14) . .
Zn3 Zn1 N2 C19 -124.30(14) . .
O5 Zn2 N3 C33 -120.90(18) 2 .
O4 Zn2 N3 C33 72.8(2) . .
O3 Zn2 N3 C33 -4.66(19) . .
N4 Zn2 N3 C33 147.9(2) . .
Zn3 Zn2 N3 C33 23.4(2) . .
O5 Zn2 N3 C34 64.38(17) 2 .
O4 Zn2 N3 C34 -101.87(15) . .
O3 Zn2 N3 C34 -179.37(15) . .
N4 Zn2 N3 C34 -26.83(14) . .
Zn3 Zn2 N3 C34 -151.30(12) . .
O5 Zn2 N4 C40 96.46(18) 2 .
O4 Zn2 N4 C40 -13.07(17) . .
N3 Zn2 N4 C40 -143.44(18) . .
O3 Zn2 N4 C40 -77.6(2) . .
Zn3 Zn2 N4 C40 -23.80(19) . .
O5 Zn2 N4 C39 -94.59(14) 2 .
O4 Zn2 N4 C39 155.88(14) . .
N3 Zn2 N4 C39 25.51(13) . .
O3 Zn2 N4 C39 91.30(17) . .
Zn3 Zn2 N4 C39 145.15(11) . .
O6 Zn1 O1 C1 115.0(2) . .
O2 Zn1 O1 C1 -160.9(2) . .
N2 Zn1 O1 C1 -67.1(3) . .
N1 Zn1 O1 C1 -2.4(2) . .
Zn3 Zn1 O1 C1 156.1(2) . .
O1 Zn1 O2 C26 126.42(18) . .
O6 Zn1 O2 C26 -127.00(18) . .
N2 Zn1 O2 C26 -18.37(18) . .
N1 Zn1 O2 C26 17.9(3) . .
Zn3 Zn1 O2 C26 -118.23(19) . .
O1 Zn1 O2 Zn3 -115.35(7) . .
O6 Zn1 O2 Zn3 -8.76(7) . .
N2 Zn1 O2 Zn3 99.86(7) . .
N1 Zn1 O2 Zn3 136.09(15) . .
O5 Zn3 O2 C26 41.66(15) . .
O6 Zn3 O2 C26 143.73(15) . .
O4 Zn3 O2 C26 -128.92(16) . .
O3 Zn3 O2 C26 -68.75(14) . .
Zn1 Zn3 O2 C26 135.08(17) . .
Zn2 Zn3 O2 C26 -76.74(15) . .
O5 Zn3 O2 Zn1 -93.42(7) . .
O6 Zn3 O2 Zn1 8.65(7) . .
O4 Zn3 O2 Zn1 96.00(14) . .
O3 Zn3 O2 Zn1 156.17(6) . .
Zn2 Zn3 O2 Zn1 148.18(3) . .
O5 Zn3 O3 C32 -117.03(18) . .
O6 Zn3 O3 C32 51.4(2) . .
O4 Zn3 O3 C32 138.47(19) . .
O2 Zn3 O3 C32 -18.95(18) . .
Zn1 Zn3 O3 C32 1.1(2) . .
Zn2 Zn3 O3 C32 151.9(2) . .
O5 Zn3 O3 Zn2 91.12(7) . .
O6 Zn3 O3 Zn2 -100.48(11) . .
O4 Zn3 O3 Zn2 -13.38(6) . .
O2 Zn3 O3 Zn2 -170.80(6) . .
Zn1 Zn3 O3 Zn2 -150.71(3) . .
O5 Zn2 O3 C32 114.07(17) 2 .
O4 Zn2 O3 C32 -138.35(17) . .
N3 Zn2 O3 C32 -9.55(17) . .
N4 Zn2 O3 C32 -72.3(2) . .
Zn3 Zn2 O3 C32 -152.30(19) . .
O5 Zn2 O3 Zn3 -93.62(7) 2 .
O4 Zn2 O3 Zn3 13.95(6) . .
N3 Zn2 O3 Zn3 142.76(7) . .
N4 Zn2 O3 Zn3 80.05(14) . .
O5 Zn2 O4 C52 -56.74(18) 2 .
N3 Zn2 O4 C52 110.75(17) . .
O3 Zn2 O4 C52 -167.37(17) . .
N4 Zn2 O4 C52 40.21(17) . .
Zn3 Zn2 O4 C52 -153.2(2) . .
O5 Zn2 O4 Zn3 96.43(8) 2 .
N3 Zn2 O4 Zn3 -96.08(10) . .
O3 Zn2 O4 Zn3 -14.21(7) . .
N4 Zn2 O4 Zn3 -166.63(7) . .
O5 Zn3 O4 C52 57.41(18) . .
O6 Zn3 O4 C52 -49.16(18) . .
O3 Zn3 O4 C52 165.32(18) . .
O2 Zn3 O4 C52 -132.37(18) . .
Zn1 Zn3 O4 C52 -63.18(19) . .
Zn2 Zn3 O4 C52 151.0(2) . .
O5 Zn3 O4 Zn2 -93.57(8) . .
O6 Zn3 O4 Zn2 159.87(8) . .
O3 Zn3 O4 Zn2 14.35(7) . .
O2 Zn3 O4 Zn2 76.66(15) . .
Zn1 Zn3 O4 Zn2 145.84(3) . .
O6 Zn3 O5 Zn2 169.06(14) . 2
O4 Zn3 O5 Zn2 66.21(15) . 2
O3 Zn3 O5 Zn2 -17.59(16) . 2
O2 Zn3 O5 Zn2 -109.53(14) . 2
Zn1 Zn3 O5 Zn2 -152.52(13) . 2
Zn2 Zn3 O5 Zn2 26.12(15) . 2
O1 Zn1 O6 Zn3 106.58(9) . .
O2 Zn1 O6 Zn3 9.63(8) . .
N2 Zn1 O6 Zn3 -72.19(9) . .
N1 Zn1 O6 Zn3 -155.99(7) . .
O5 Zn3 O6 Zn1 86.34(9) . .
O4 Zn3 O6 Zn1 -163.57(8) . .
O3 Zn3 O6 Zn1 -82.50(13) . .
O2 Zn3 O6 Zn1 -9.50(7) . .
Zn2 Zn3 O6 Zn1 -146.49(4) . .
Zn1 O1 C1 C2 -172.63(18) . .
Zn1 O1 C1 C6 8.8(4) . .
O1 C1 C2 C3 176.6(3) . .
C6 C1 C2 C3 -4.7(4) . .
C1 C2 C3 C4 3.5(4) . .
C2 C3 C4 C5 1.3(4) . .
C3 C4 C5 C6 -4.7(4) . .
C4 C5 C6 C1 3.3(4) . .
C4 C5 C6 C7 -178.1(2) . .
O1 C1 C6 C5 179.9(2) . .
C2 C1 C6 C5 1.4(3) . .
O1 C1 C6 C7 1.5(4) . .
C2 C1 C6 C7 -177.1(2) . .
C14 N1 C7 C6 -176.8(2) . .
Zn1 N1 C7 C6 28.8(3) . .
C14 N1 C7 C8 8.2(3) . .
Zn1 N1 C7 C8 -146.25(17) . .
C5 C6 C7 N1 159.9(2) . .
C1 C6 C7 N1 -21.6(4) . .
C5 C6 C7 C8 -25.0(3) . .
C1 C6 C7 C8 153.5(2) . .
N1 C7 C8 C13 74.3(3) . .
C6 C7 C8 C13 -100.8(3) . .
N1 C7 C8 C9 -102.0(3) . .
C6 C7 C8 C9 82.8(3) . .
C13 C8 C9 C10 -2.2(4) . .
C7 C8 C9 C10 174.0(2) . .
C8 C9 C10 C11 0.9(4) . .
C9 C10 C11 C12 0.9(4) . .
C10 C11 C12 C13 -1.4(4) . .
C11 C12 C13 C8 0.0(4) . .
C9 C8 C13 C12 1.8(4) . .
C7 C8 C13 C12 -174.8(2) . .
C7 N1 C14 C15 51.4(3) . .
Zn1 N1 C14 C15 -150.63(19) . .
C7 N1 C14 C19 -135.8(2) . .
Zn1 N1 C14 C19 22.2(2) . .
C19 C14 C15 C16 3.0(3) . .
N1 C14 C15 C16 175.6(2) . .
C14 C15 C16 C17 -0.7(4) . .
C15 C16 C17 C18 -1.7(4) . .
C16 C17 C18 C19 1.9(4) . .
C17 C18 C19 C14 0.4(4) . .
C17 C18 C19 N2 -175.0(2) . .
C15 C14 C19 C18 -2.8(3) . .
N1 C14 C19 C18 -176.0(2) . .
C15 C14 C19 N2 172.9(2) . .
N1 C14 C19 N2 -0.3(3) . .
C20 N2 C19 C18 -29.8(3) . .
Zn1 N2 C19 C18 152.6(2) . .
C20 N2 C19 C14 154.7(2) . .
Zn1 N2 C19 C14 -22.9(2) . .
C19 N2 C20 C21 173.9(2) . .
Zn1 N2 C20 C21 -8.9(3) . .
N2 C20 C21 C22 179.9(2) . .
N2 C20 C21 C26 -3.5(4) . .
C26 C21 C22 C23 0.5(3) . .
C20 C21 C22 C23 177.3(2) . .
C21 C22 C23 C24 1.1(3) . .
C22 C23 C24 C25 -1.4(3) . .
C23 C24 C25 C26 0.0(3) . .
C23 C24 C25 C27 175.5(2) . .
Zn1 O2 C26 C25 -166.65(14) . .
Zn3 O2 C26 C25 81.2(2) . .
Zn1 O2 C26 C21 14.0(3) . .
Zn3 O2 C26 C21 -98.2(2) . .
C24 C25 C26 O2 -177.84(19) . .
C27 C25 C26 O2 6.7(3) . .
C24 C25 C26 C21 1.6(3) . .
C27 C25 C26 C21 -173.90(19) . .
C22 C21 C26 O2 177.56(19) . .
C20 C21 C26 O2 1.0(3) . .
C22 C21 C26 C25 -1.8(3) . .
C20 C21 C26 C25 -178.4(2) . .
C24 C25 C27 C28 -60.5(3) . .
C26 C25 C27 C28 115.0(2) . .
C24 C25 C27 C32 117.5(2) . .
C26 C25 C27 C32 -67.0(3) . .
C32 C27 C28 C29 0.7(4) . .
C25 C27 C28 C29 178.8(2) . .
C27 C28 C29 C30 -3.7(4) . .
C28 C29 C30 C31 1.2(4) . .
C29 C30 C31 C32 4.1(4) . .
C29 C30 C31 C33 -171.6(2) . .
Zn3 O3 C32 C27 54.6(3) . .
Zn2 O3 C32 C27 -161.60(15) . .
Zn3 O3 C32 C31 -126.50(19) . .
Zn2 O3 C32 C31 17.3(3) . .
C28 C27 C32 O3 -176.6(2) . .
C25 C27 C32 O3 5.5(3) . .
C28 C27 C32 C31 4.5(3) . .
C25 C27 C32 C31 -173.46(19) . .
C30 C31 C32 O3 174.3(2) . .
C33 C31 C32 O3 -10.6(3) . .
C30 C31 C32 C27 -6.8(3) . .
C33 C31 C32 C27 168.3(2) . .
C34 N3 C33 C31 -174.0(2) . .
Zn2 N3 C33 C31 11.6(3) . .
C30 C31 C33 N3 170.5(2) . .
C32 C31 C33 N3 -4.9(4) . .
C33 N3 C34 C35 33.5(3) . .
Zn2 N3 C34 C35 -151.36(18) . .
C33 N3 C34 C39 -150.3(2) . .
Zn2 N3 C34 C39 24.8(2) . .
C39 C34 C35 C36 0.8(4) . .
N3 C34 C35 C36 176.8(2) . .
C34 C35 C36 C37 -1.2(4) . .
C35 C36 C37 C38 0.4(4) . .
C36 C37 C38 C39 0.9(4) . .
C37 C38 C39 C34 -1.3(3) . .
C37 C38 C39 N4 -175.3(2) . .
C35 C34 C39 C38 0.5(3) . .
N3 C34 C39 C38 -175.8(2) . .
C35 C34 C39 N4 175.2(2) . .
N3 C34 C39 N4 -1.1(3) . .
C40 N4 C39 C38 -37.2(3) . .
Zn2 N4 C39 C38 153.91(19) . .
C40 N4 C39 C34 148.6(2) . .
Zn2 N4 C39 C34 -20.2(2) . .
C39 N4 C40 C47 178.80(19) . .
Zn2 N4 C40 C47 -14.1(3) . .
C39 N4 C40 C41 -4.2(3) . .
Zn2 N4 C40 C41 162.85(15) . .
N4 C40 C41 C46 -92.7(3) . .
C47 C40 C41 C46 84.4(3) . .
N4 C40 C41 C42 93.6(3) . .
C47 C40 C41 C42 -89.3(3) . .
C46 C41 C42 C43 0.0(4) . .
C40 C41 C42 C43 173.6(2) . .
C41 C42 C43 C44 -1.9(4) . .
C42 C43 C44 C45 2.2(5) . .
C43 C44 C45 C46 -0.7(5) . .
C42 C41 C46 C45 1.6(4) . .
C40 C41 C46 C45 -172.3(2) . .
C44 C45 C46 C41 -1.3(4) . .
N4 C40 C47 C48 -155.4(2) . .
C41 C40 C47 C48 27.3(3) . .
N4 C40 C47 C52 26.5(3) . .
C41 C40 C47 C52 -150.8(2) . .
C52 C47 C48 C49 -1.8(3) . .
C40 C47 C48 C49 179.9(2) . .
C47 C48 C49 C50 0.5(4) . .
C48 C49 C50 C51 0.4(4) . .
C49 C50 C51 C52 0.1(4) . .
Zn2 O4 C52 C51 140.05(17) . .
Zn3 O4 C52 C51 -5.2(3) . .
Zn2 O4 C52 C47 -42.2(3) . .
Zn3 O4 C52 C47 172.53(14) . .
C50 C51 C52 O4 176.4(2) . .
C50 C51 C52 C47 -1.4(3) . .
C48 C47 C52 O4 -175.54(19) . .
C40 C47 C52 O4 2.6(3) . .
C48 C47 C52 C51 2.2(3) . .
C40 C47 C52 C51 -179.67(19) . .
Cl1T C1T C2T Cl2T 68.5(6) . .
Cl1U C1U C2U Cl2U -62.2(3) . .
Cl1V C1V C2V Cl2V -69.1(3) . .
