#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/08/4500857.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_4500857
loop_
_publ_author_name
'Qin, Ling'
'Hu, Jin-Song'
'Li, Yi-Zhi'
'Zheng, He-Gen'
_publ_section_title
;
 Three New Coordination Polymers Based on One Reduced Symmetry Tripodal
 Linker
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3115
_journal_paper_doi               10.1021/cg2003673
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C126 H120 N2 O71 Zn14'
_chemical_formula_sum            'C126 H120 F0 N2 O71 Zn14'
_chemical_formula_weight         3713.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   21.209(2)
_cell_length_b                   22.825(2)
_cell_length_c                   18.1999(18)
_cell_measurement_reflns_used    3360
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      2.9
_cell_volume                     8810.5(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0715
_diffrn_reflns_av_sigmaI/netI    0.0647
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46128
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.950
_exptl_absorpt_correction_T_max  0.6736
_exptl_absorpt_correction_T_min  0.6112
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3756
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.850
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         8946
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0455P)²+9.8081P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1187
_reflns_number_gt                6072
_reflns_number_total             8946
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg2003673_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        8810.5(15)
_cod_original_sg_symbol_Hall     '-P22n '
_cod_original_sg_symbol_H-M      Pnnm
_cod_database_code               4500857
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'-x-1/2, y-1/2, z-1/2'
'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
C1 C 1.1081(2) 0.4545(2) 0.3477(2) 0.0404(10) Uani 1 1 d . . .
C2 C 1.0984(2) 0.4839(2) 0.2751(2) 0.0402(10) Uani 1 1 d . . .
C3 C 1.1165(2) 0.4549(2) 0.2090(2) 0.0412(11) Uani 1 1 d . . .
H3 H 1.1361 0.4185 0.2105 0.049 Uiso 1 1 calc R . .
C4 C 1.1042(2) 0.48214(19) 0.1424(2) 0.0368(10) Uani 1 1 d . . .
H4 H 1.1160 0.4628 0.0996 0.044 Uiso 1 1 calc R . .
C5 C 1.07535(19) 0.53674(19) 0.1357(2) 0.0335(9) Uani 1 1 d . . .
C6 C 1.0604(2) 0.5667(2) 0.2056(2) 0.0405(10) Uani 1 1 d . . .
H6 H 1.0430 0.6041 0.2049 0.049 Uiso 1 1 calc R . .
C7 C 1.0724(2) 0.53962(19) 0.2711(2) 0.0366(10) Uani 1 1 d . . .
H7 H 1.0627 0.5592 0.3145 0.044 Uiso 1 1 calc R . .
C8 C 1.0791(3) 0.5422(3) 0.0000 0.0383(14) Uani 1 2 d S . .
H8 H 1.1131 0.5163 0.0000 0.046 Uiso 1 2 calc SR . .
C9 C 1.0532(2) 0.5620(2) 0.0679(2) 0.0391(10) Uani 1 1 d . . .
C10 C 1.0046(2) 0.6018(2) 0.0669(2) 0.0390(10) Uani 1 1 d . . .
H10 H 0.9882 0.6163 0.1107 0.047 Uiso 1 1 calc R . .
C11 C 0.9802(3) 0.6204(3) 0.0000 0.0365(14) Uani 1 2 d S . .
C12 C 0.9224(3) 0.6593(3) 0.0000 0.0418(15) Uani 1 2 d S . .
C13 C 1.0118(2) 0.2985(2) 0.3369(2) 0.0387(10) Uani 1 1 d . . .
C14 C 0.9762(2) 0.2836(2) 0.2709(3) 0.0417(11) Uani 1 1 d . . .
C15 C 0.9134(2) 0.2919(2) 0.2654(3) 0.0405(10) Uani 1 1 d . . .
H15 H 0.8909 0.3055 0.3058 0.049 Uiso 1 1 calc R . .
C16 C 0.8814(2) 0.27998(19) 0.1987(2) 0.0388(10) Uani 1 1 d . . .
H16 H 0.8381 0.2854 0.1956 0.047 Uiso 1 1 calc R . .
C17 C 0.9144(2) 0.2604(2) 0.1384(3) 0.0418(11) Uani 1 1 d . . .
C18 C 0.9814(2) 0.2523(2) 0.1432(3) 0.0420(11) Uani 1 1 d . . .
H18 H 1.0052 0.2406 0.1028 0.050 Uiso 1 1 calc R . .
C19 C 1.0094(2) 0.2629(2) 0.2124(2) 0.0424(11) Uani 1 1 d . . .
H19 H 1.0522 0.2554 0.2182 0.051 Uiso 1 1 calc R . .
C20 C 0.9138(3) 0.2592(3) 0.0000 0.0398(15) Uani 1 2 d S . .
H20 H 0.9558 0.2711 0.0000 0.048 Uiso 1 2 calc SR . .
C21 C 0.8832(2) 0.2506(2) 0.0672(2) 0.0373(10) Uani 1 1 d . . .
C22 C 0.8184(2) 0.2366(2) 0.0678(2) 0.0399(10) Uani 1 1 d . . .
H22 H 0.7969 0.2316 0.1119 0.048 Uiso 1 1 calc R . .
C23 C 0.7870(3) 0.2303(3) 0.0000 0.0391(14) Uani 1 2 d S . .
C24 C 0.7186(3) 0.2116(3) 0.0000 0.0402(15) Uani 1 2 d S . .
C25 C 0.7191(2) 0.3017(2) 0.3429(3) 0.0450(11) Uani 1 1 d . . .
C26 C 0.7231(2) 0.3334(2) 0.2711(3) 0.0419(11) Uani 1 1 d . . .
C27 C 0.6932(2) 0.3121(2) 0.2091(2) 0.0420(11) Uani 1 1 d . . .
H27 H 0.6679 0.2789 0.2125 0.050 Uiso 1 1 calc R . .
C28 C 0.7005(2) 0.3401(2) 0.1417(3) 0.0413(10) Uani 1 1 d . . .
H28 H 0.6807 0.3253 0.1001 0.050 Uiso 1 1 calc R . .
C29 C 0.7376(2) 0.3902(2) 0.1368(2) 0.0428(11) Uani 1 1 d . . .
C30 C 0.7681(2) 0.4119(2) 0.1995(2) 0.0417(11) Uani 1 1 d . . .
H30 H 0.7931 0.4453 0.1965 0.050 Uiso 1 1 calc R . .
C31 C 0.7607(2) 0.3830(2) 0.2663(2) 0.0406(11) Uani 1 1 d . . .
H31 H 0.7810 0.3971 0.3080 0.049 Uiso 1 1 calc R . .
C32 C 0.7575(3) -0.1085(3) 0.5000 0.0393(14) Uani 1 2 d S . .
H32 H 0.7539 -0.1491 0.5000 0.047 Uiso 1 2 calc SR . .
C33 C 0.7604(2) -0.0764(2) 0.5673(2) 0.0412(11) Uani 1 1 d . . .
C34 C 0.7524(2) -0.0142(2) 0.5632(3) 0.0433(11) Uani 1 1 d . . .
H34 H 0.7493 0.0068 0.6068 0.052 Uiso 1 1 calc R . .
C35 C 0.7493(3) 0.0151(3) 0.5000 0.0402(15) Uani 1 2 d S . .
C36 C 0.7399(3) 0.0768(3) 0.5000 0.0433(15) Uani 1 2 d S . .
N1 N 0.8752(4) 0.4060(4) 0.4602(4) 0.047(2) Uani 0.50 1 d P . .
O1 O 1.13274(14) 0.40399(14) 0.34560(17) 0.0425(7) Uani 1 1 d . . .
O2 O 1.08442(14) 0.47879(14) 0.40077(17) 0.0428(8) Uani 1 1 d . . .
O3 O 0.89753(14) 0.67361(13) 0.05949(17) 0.0408(7) Uani 1 1 d . . .
O4 O 1.06909(14) 0.28861(13) 0.34366(17) 0.0408(7) Uani 1 1 d . . .
O5 O 0.97909(14) 0.31396(14) 0.39051(17) 0.0418(7) Uani 1 1 d . . .
O6 O 0.69354(13) 0.20206(13) -0.06185(16) 0.0390(7) Uani 1 1 d . . .
O7 O 0.75278(15) 0.31340(14) 0.39252(18) 0.0445(8) Uani 1 1 d . . .
O8 O 0.67719(15) 0.26227(15) 0.34783(17) 0.0462(8) Uani 1 1 d . . .
O9 O 0.73237(14) 0.10528(13) 0.44057(17) 0.0423(7) Uani 1 1 d . . .
O10 O 1.07796(19) 0.36563(18) 0.5000 0.0371(10) Uani 1 2 d S . .
O11 O 0.9276(3) 0.4006(2) 0.491(2) 0.037(6) Uani 0.50 1 d P . .
O12 O 0.8248(2) 0.3893(2) 0.5000 0.0521(12) Uani 1 2 d S . .
O13 O 0.7279(2) 0.2254(2) 0.5000 0.0438(11) Uani 1 2 d S . .
H13A H 0.7643 0.2100 0.5000 0.053 Uiso 0.50 2 d SPR A 1
H13B H 0.7623 0.2064 0.5000 0.053 Uiso 0.50 2 d SPR A 2
O14 O 1.0000 0.5000 0.5000 0.0480(16) Uani 1 4 d S . .
O1W O 1.19735(19) 0.4871(2) 0.5000 0.0433(11) Uani 1 2 d S . .
H1X H 1.2008 0.5117 0.4652 0.052 Uiso 1 1 d R . .
O2W O 0.67510(19) 0.34828(18) 0.5000 0.0374(10) Uani 1 2 d S . .
H2X H 0.6772 0.3851 0.4934 0.045 Uiso 0.50 1 d PR . .
H2Y H 0.6514 0.3332 0.4675 0.045 Uiso 0.50 1 d PR . .
O3W O 0.8593(2) 0.26889(19) 0.5000 0.0406(10) Uani 1 2 d S . .
H3X H 0.8717 0.2641 0.4560 0.061 Uiso 0.50 1 d PR . .
H3Y H 0.8851 0.2911 0.5225 0.061 Uiso 0.50 1 d PR . .
O4W O 0.73547(14) 0.14605(14) 0.33490(16) 0.0419(7) Uani 1 1 d . . .
H4X H 0.7607 0.1718 0.3184 0.050 Uiso 1 1 d R . .
H4Y H 0.7589 0.1213 0.3566 0.050 Uiso 1 1 d R . .
O5W O 0.5913(5) 0.5003(4) 0.0333(5) 0.045(3) Uani 0.30 1 d P . .
H5X H 0.6025 0.4963 -0.0112 0.054 Uiso 0.30 1 d PR . .
H5Y H 0.5584 0.5215 0.0354 0.054 Uiso 0.30 1 d PR . .
O6W O 0.8392(3) 0.1772(3) 0.4069(3) 0.0459(16) Uani 0.50 1 d P . .
H6X H 0.8496 0.1470 0.4315 0.055 Uiso 0.50 1 d PR . .
H6Y H 0.8673 0.1809 0.3739 0.055 Uiso 0.50 1 d PR . .
O7W O 0.5782(3) 0.4052(3) 0.4491(3) 0.0444(15) Uani 0.50 1 d P . .
H7X H 0.5895 0.4397 0.4374 0.053 Uiso 0.50 1 d PR . .
H7Y H 0.5637 0.3878 0.4115 0.053 Uiso 0.50 1 d PR . .
O8W O 0.5443(4) 0.4018(4) 0.7028(4) 0.0466(19) Uani 0.40 1 d P . .
H8X H 0.5074 0.3945 0.7184 0.056 Uiso 0.40 1 d PR . .
H8Y H 0.5484 0.4385 0.6962 0.056 Uiso 0.40 1 d PR . .
O9W O 0.8379(5) 0.0208(5) 0.2498(5) 0.041(2) Uani 0.30 1 d P . .
H9X H 0.8678 0.0040 0.2728 0.049 Uiso 0.30 1 d PR . .
H9Y H 0.8117 -0.0049 0.2352 0.049 Uiso 0.30 1 d PR . .
O10W O 0.8108(6) 0.0994(5) 0.0895(6) 0.052(3) Uani 0.30 1 d P . .
H10X H 0.8268 0.0810 0.0534 0.062 Uiso 0.30 1 d PR . .
H10Y H 0.7713 0.1032 0.0829 0.062 Uiso 0.30 1 d PR . .
O11W O 0.4085(4) 0.4788(3) 0.4697(4) 0.045(2) Uani 0.40 1 d P . .
H11X H 0.3781 0.4594 0.4879 0.054 Uiso 0.40 1 d PR . .
H11Y H 0.4308 0.4972 0.5000 0.054 Uiso 0.80 2 d SPR . .
O12W O 0.5803(5) 0.7030(4) 0.0172(5) 0.043(3) Uani 0.30 1 d P . .
H12X H 0.5823 0.6658 0.0199 0.051 Uiso 0.30 1 d PR . .
H12Y H 0.5420 0.7134 0.0122 0.051 Uiso 0.30 1 d PR . .
O13W O 0.4682(5) 0.4844(5) 0.3889(6) 0.048(3) Uani 0.30 1 d P . .
H13X H 0.4869 0.4946 0.3497 0.058 Uiso 0.30 1 d PR . .
H13Y H 0.4314 0.4722 0.3785 0.058 Uiso 0.30 1 d PR . .
O14W O 0.5604(4) 0.5231(3) 0.1587(5) 0.048(2) Uani 0.40 1 d P . .
H14X H 0.5437 0.5162 0.2003 0.058 Uiso 0.40 1 d PR . .
H14Y H 0.5401 0.5502 0.1372 0.058 Uiso 0.40 1 d PR . .
O15W O 0.5653(5) 0.3904(5) 0.0937(5) 0.045(3) Uani 0.30 1 d P . .
H15X H 0.5640 0.4250 0.1109 0.054 Uiso 0.30 1 d PR . .
H15Y H 0.5876 0.3689 0.1217 0.054 Uiso 0.30 1 d PR . .
Zn1 Zn 1.10075(4) 0.45004(3) 0.5000 0.04199(19) Uani 1 2 d S . .
Zn2 Zn 1.11695(2) 0.33641(2) 0.41089(3) 0.04116(14) Uani 1 1 d . . .
Zn3 Zn 0.99277(4) 0.33287(4) 0.5000 0.04283(19) Uani 1 2 d S . .
Zn4 Zn 0.76440(4) 0.30952(4) 0.5000 0.04192(19) Uani 1 2 d S . .
Zn5 Zn 0.69509(3) 0.18802(2) 0.41957(3) 0.04220(14) 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
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'
F F 0.0171 0.0103 '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
O2 C1 O1 127.3(4) . .
O2 C1 C2 116.0(4) . .
O1 C1 C2 116.0(4) . .
C7 C2 C3 119.2(4) . .
C7 C2 C1 120.7(4) . .
C3 C2 C1 120.0(4) . .
C4 C3 C2 118.7(4) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C3 C4 C5 124.0(4) . .
C3 C4 H4 118.0 . .
C5 C4 H4 118.0 . .
C4 C5 C9 125.2(4) . .
C4 C5 C6 115.6(4) . .
C9 C5 C6 118.8(4) . .
C7 C6 C5 120.1(4) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 122.2(4) . .
C6 C7 H7 118.9 . .
C2 C7 H7 118.9 . .
C9 C8 C9 120.0(6) . 6
C9 C8 H8 120.0 . .
C9 C8 H8 120.0 6 .
C10 C9 C8 119.2(4) . .
C10 C9 C5 121.4(4) . .
C8 C9 C5 119.3(4) . .
C9 C10 C11 119.5(4) . .
C9 C10 H10 120.2 . .
C11 C10 H10 120.2 . .
C10 C11 C10 122.4(6) . 6
C10 C11 C12 118.8(3) . .
C10 C11 C12 118.8(3) 6 .
O3 C12 O3 120.4(6) . 6
O3 C12 C11 119.7(3) . .
O3 C12 C11 119.7(3) 6 .
O4 C13 O5 121.2(4) . .
O4 C13 C14 123.1(4) . .
O5 C13 C14 115.0(4) . .
C15 C14 C19 120.0(4) . .
C15 C14 C13 122.6(4) . .
C19 C14 C13 117.3(4) . .
C14 C15 C16 120.6(4) . .
C14 C15 H15 119.7 . .
C16 C15 H15 119.7 . .
C17 C16 C15 120.2(4) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 119.8(4) . .
C16 C17 C21 121.6(4) . .
C18 C17 C21 118.6(4) . .
C19 C18 C17 116.6(4) . .
C19 C18 H18 121.7 . .
C17 C18 H18 121.7 . .
C14 C19 C18 122.8(4) . .
C14 C19 H19 118.6 . .
C18 C19 H19 118.6 . .
C21 C20 C21 122.0(6) . 6
C21 C20 H20 119.0 . .
C21 C20 H20 119.0 6 .
C20 C21 C22 119.4(4) . .
C20 C21 C17 122.7(5) . .
C22 C21 C17 117.7(4) . .
C23 C22 C21 118.4(4) . .
C23 C22 H22 120.8 . .
C21 C22 H22 120.8 . .
C22 C23 C22 122.3(6) . 6
C22 C23 C24 118.8(3) . .
C22 C23 C24 118.8(3) 6 .
O6 C24 O6 125.9(6) . 6
O6 C24 C23 116.9(3) . .
O6 C24 C23 116.9(3) 6 .
O7 C25 O8 122.0(4) . .
O7 C25 C26 121.6(5) . .
O8 C25 C26 116.4(4) . .
C27 C26 C31 119.9(4) . .
C27 C26 C25 121.1(5) . .
C31 C26 C25 118.9(4) . .
C26 C27 C28 120.5(4) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C29 C28 C27 119.8(4) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C28 C29 C30 120.0(4) . .
C28 C29 C33 119.7(4) . 7_765
C30 C29 C33 120.0(4) . 7_765
C31 C30 C29 119.3(4) . .
C31 C30 H30 120.3 . .
C29 C30 H30 120.3 . .
C26 C31 C30 120.5(4) . .
C26 C31 H31 119.7 . .
C30 C31 H31 119.7 . .
C33 C32 C33 118.0(6) . 6_556
C33 C32 H32 121.0 . .
C33 C32 H32 121.0 6_556 .
C32 C33 C34 117.4(4) . .
C32 C33 C29 118.0(4) . 7_756
C34 C33 C29 124.0(4) . 7_756
C35 C34 C33 123.3(5) . .
C35 C34 H34 118.4 . .
C33 C34 H34 118.4 . .
C34 C35 C34 119.4(7) . 6_556
C34 C35 C36 120.3(3) . .
C34 C35 C36 120.3(3) 6_556 .
O9 C36 O9 116.4(6) 6_556 .
O9 C36 C35 121.6(3) 6_556 .
O9 C36 C35 121.6(3) . .
O11 N1 O12 115.8(16) . .
O11 N1 O11 12(3) . 6_556
O12 N1 O11 105.2(14) . 6_556
O11 N1 N1 63.3(17) . 6_556
O12 N1 N1 57.5(4) . 6_556
O11 N1 N1 51.7(14) 6_556 6_556
C1 O1 Zn2 128.6(3) . .
C1 O2 Zn1 120.4(3) . .
C12 O3 Zn5 127.9(3) . 4_655
C13 O4 Zn2 118.4(3) . .
C13 O5 Zn3 137.5(3) . .
C24 O6 Zn2 131.9(3) . 8_565
C25 O7 Zn4 145.4(3) . .
C25 O8 Zn5 118.3(3) . .
C36 O9 Zn5 131.9(4) . .
Zn2 O10 Zn2 113.55(19) 6_556 .
Zn2 O10 Zn3 105.22(15) 6_556 .
Zn2 O10 Zn3 105.22(15) . .
Zn2 O10 Zn1 103.29(14) 6_556 .
Zn2 O10 Zn1 103.29(14) . .
Zn3 O10 Zn1 126.6(2) . .
O11 O11 N1 116.7(17) 6_556 .
O11 O11 N1 51.7(14) 6_556 6_556
N1 O11 N1 65.0(8) . 6_556
O11 O11 Zn3 85.6(11) 6_556 .
N1 O11 Zn3 134.2(13) . .
N1 O11 Zn3 122.4(18) 6_556 .
N1 O12 N1 65.0(7) 6_556 .
N1 O12 Zn4 133.5(4) 6_556 .
N1 O12 Zn4 133.5(4) . .
Zn5 O13 Zn5 106.1(2) . 6_556
Zn5 O13 Zn4 125.05(13) . .
Zn5 O13 Zn4 125.05(13) 6_556 .
Zn5 O13 H13A 98.8 . .
Zn5 O13 H13A 98.8 6_556 .
Zn4 O13 H13A 92.4 . .
Zn5 O13 H13B 95.0 . .
Zn5 O13 H13B 95.0 6_556 .
Zn4 O13 H13B 98.8 . .
H13A O13 H13B 6.3 . .
Zn1 O14 Zn1 180.0 . 5_766
Zn1 O1W H1X 109.4 . .
Zn4 O2W H2X 111.8 . .
Zn4 O2W H2Y 111.4 . .
H2X O2W H2Y 109.4 . .
Zn4 O3W H3X 109.5 . .
Zn4 O3W H3Y 109.5 . .
H3X O3W H3Y 109.5 . .
Zn5 O4W H4X 102.1 . .
Zn5 O4W H4Y 102.2 . .
H4X O4W H4Y 104.8 . .
O5W O5W H5X 17.5 6 .
O5W O5W H5Y 92.5 6 .
H5X O5W H5Y 109.5 . .
H6X O6W H6Y 105.7 . .
H7X O7W H7Y 109.5 . .
H8X O8W H8Y 109.5 . .
H9X O9W H9Y 109.5 . .
H10X O10W H10Y 109.5 . .
O11W O11W H11X 67.0 6_556 .
O11W O11W H11Y 48.9 6_556 .
H11X O11W H11Y 115.5 . .
O12W O12W H12X 93.4 6 .
O12W O12W H12Y 83.9 6 .
H12X O12W H12Y 109.5 . .
O13W O13W H13X 57.2 2_665 .
O13W O13W H13Y 164.8 2_665 .
H13X O13W H13Y 109.5 . .
H14X O14W H14Y 109.5 . .
H15X O15W H15Y 109.5 . .
O2 Zn1 O2 135.33(19) 6_556 .
O2 Zn1 O10 106.43(11) 6_556 .
O2 Zn1 O10 106.43(11) . .
O2 Zn1 O1W 92.04(11) 6_556 .
O2 Zn1 O1W 92.04(11) . .
O10 Zn1 O1W 126.52(16) . .
O2 Zn1 O14 71.66(9) 6_556 .
O2 Zn1 O14 71.66(9) . .
O10 Zn1 O14 104.00(12) . .
O1W Zn1 O14 129.47(12) . .
O2 Zn1 Zn2 142.22(10) 6_556 .
O2 Zn1 Zn2 79.38(10) . .
O10 Zn1 Zn2 37.81(6) . .
O1W Zn1 Zn2 102.62(10) . .
O14 Zn1 Zn2 119.68(2) . .
O2 Zn1 Zn2 79.38(10) 6_556 6_556
O2 Zn1 Zn2 142.22(10) . 6_556
O10 Zn1 Zn2 37.81(6) . 6_556
O1W Zn1 Zn2 102.62(10) . 6_556
O14 Zn1 Zn2 119.68(2) . 6_556
Zn2 Zn1 Zn2 63.59(3) . 6_556
O6 Zn2 O4 110.61(13) 8_666 .
O6 Zn2 O10 107.66(13) 8_666 .
O4 Zn2 O10 120.06(15) . .
O6 Zn2 O1 111.75(13) 8_666 .
O4 Zn2 O1 98.59(13) . .
O10 Zn2 O1 107.87(15) . .
O6 Zn2 Zn1 110.19(9) 8_666 .
O4 Zn2 Zn1 138.79(9) . .
O10 Zn2 Zn1 38.90(12) . .
O1 Zn2 Zn1 71.21(9) . .
O6 Zn2 Zn3 125.11(9) 8_666 .
O4 Zn2 Zn3 82.51(9) . .
O10 Zn2 Zn3 37.58(12) . .
O1 Zn2 Zn3 118.68(9) . .
Zn1 Zn2 Zn3 69.56(2) . .
O10 Zn3 O5 102.14(9) . 6_556
O10 Zn3 O5 102.14(9) . .
O5 Zn3 O5 150.75(18) 6_556 .
O10 Zn3 O11 109.2(2) . .
O5 Zn3 O11 97.8(11) 6_556 .
O5 Zn3 O11 89.3(11) . .
O10 Zn3 O11 109.2(2) . 6_556
O5 Zn3 O11 89.3(11) 6_556 6_556
O5 Zn3 O11 97.8(11) . 6_556
O11 Zn3 O11 9(2) . 6_556
O10 Zn3 Zn2 37.20(6) . 6_556
O5 Zn3 Zn2 67.56(9) 6_556 6_556
O5 Zn3 Zn2 129.24(9) . 6_556
O11 Zn3 Zn2 125.9(7) . 6_556
O11 Zn3 Zn2 120.4(8) 6_556 6_556
O10 Zn3 Zn2 37.20(6) . .
O5 Zn3 Zn2 129.24(9) 6_556 .
O5 Zn3 Zn2 67.56(9) . .
O11 Zn3 Zn2 120.4(8) . .
O11 Zn3 Zn2 125.9(7) 6_556 .
Zn2 Zn3 Zn2 63.22(3) 6_556 .
O7 Zn4 O7 164.7(2) 6_556 .
O7 Zn4 O13 89.70(10) 6_556 .
O7 Zn4 O13 89.70(10) . .
O7 Zn4 O2W 82.41(10) 6_556 .
O7 Zn4 O2W 82.41(10) . .
O13 Zn4 O2W 93.05(17) . .
O7 Zn4 O3W 97.60(10) 6_556 .
O7 Zn4 O3W 97.60(10) . .
O13 Zn4 O3W 87.26(17) . .
O2W Zn4 O3W 179.69(17) . .
O7 Zn4 O12 92.01(10) 6_556 .
O7 Zn4 O12 92.01(10) . .
O13 Zn4 O12 166.88(18) . .
O2W Zn4 O12 100.07(17) . .
O3W Zn4 O12 79.62(17) . .
O13 Zn5 O4W 132.41(16) . .
O13 Zn5 O3 107.03(16) . 4_645
O4W Zn5 O3 118.71(13) . 4_645
O13 Zn5 O9 97.58(16) . .
O4W Zn5 O9 63.00(12) . .
O3 Zn5 O9 100.73(12) 4_645 .
O13 Zn5 O8 100.55(16) . .
O4W Zn5 O8 89.17(13) . .
O3 Zn5 O8 94.02(12) 4_645 .
O9 Zn5 O8 152.11(13) . .
O13 Zn5 Zn5 36.94(12) . 6_556
O4W Zn5 Zn5 140.18(8) . 6_556
O3 Zn5 Zn5 79.17(9) 4_645 6_556
O9 Zn5 Zn5 79.43(9) . 6_556
O8 Zn5 Zn5 126.94(9) . 6_556
O13 Zn5 H13A 23.2 . .
O4W Zn5 H13A 110.2 . .
O3 Zn5 H13A 125.2 4_645 .
O9 Zn5 H13A 80.0 . .
O8 Zn5 H13A 110.4 . .
Zn5 Zn5 H13A 46.7 6_556 .
O13 Zn5 H13B 23.9 . .
O4W Zn5 H13B 110.1 . .
O3 Zn5 H13B 124.2 4_645 .
O9 Zn5 H13B 78.1 . .
O8 Zn5 H13B 112.6 . .
Zn5 Zn5 H13B 45.4 6_556 .
H13A Zn5 H13B 2.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.222(5) .
C1 O1 1.267(5) .
C1 C2 1.496(6) .
C2 C7 1.388(6) .
C2 C3 1.425(6) .
C3 C4 1.387(6) .
C3 H3 0.9300 .
C4 C5 1.394(6) .
C4 H4 0.9300 .
C5 C9 1.440(6) .
C5 C6 1.479(6) .
C6 C7 1.368(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.426(5) .
C8 C9 1.426(5) 6
C8 H8 0.9300 .
C9 C10 1.374(6) .
C10 C11 1.390(5) .
C10 H10 0.9300 .
C11 C10 1.390(5) 6
C11 C12 1.513(9) .
C12 O3 1.248(4) .
C12 O3 1.248(4) 6
C13 O4 1.242(5) .
C13 O5 1.248(5) .
C13 C14 1.458(6) .
C14 C15 1.349(6) .
C14 C19 1.361(7) .
C15 C16 1.418(6) .
C15 H15 0.9300 .
C16 C17 1.376(6) .
C16 H16 0.9300 .
C17 C18 1.436(6) .
C17 C21 1.473(6) .
C18 C19 1.412(6) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 C21 1.398(5) .
C20 C21 1.398(5) 6
C20 H20 0.9300 .
C21 C22 1.412(6) .
C22 C23 1.410(5) .
C22 H22 0.9300 .
C23 C22 1.410(5) 6
C23 C24 1.512(9) .
C24 O6 1.264(4) .
C24 O6 1.264(4) 6
C25 O7 1.182(6) .
C25 O8 1.269(6) .
C25 C26 1.495(6) .
C26 C27 1.384(7) .
C26 C31 1.386(7) .
C27 C28 1.391(6) .
C27 H27 0.9300 .
C28 C29 1.391(7) .
C28 H28 0.9300 .
C29 C30 1.402(7) .
C29 C33 1.479(6) 7_765
C30 C31 1.393(6) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 C33 1.428(6) .
C32 C33 1.428(6) 6_556
C32 H32 0.9300 .
C33 C34 1.431(7) .
C33 C29 1.479(6) 7_756
C34 C35 1.331(6) .
C34 H34 0.9300 .
C35 C34 1.331(6) 6_556
C35 C36 1.421(9) .
C36 O9 1.272(5) 6_556
C36 O9 1.272(5) .
N1 O11 1.25(2) .
N1 O12 1.346(9) .
N1 O11 1.43(3) 6_556
N1 N1 1.447(16) 6_556
O1 Zn2 1.976(3) .
O2 Zn1 1.952(3) .
O3 Zn5 2.028(3) 4_655
O4 Zn2 1.928(3) .
O5 Zn3 2.059(3) .
O6 Zn2 1.912(3) 8_565
O7 Zn4 1.974(3) .
O8 Zn5 2.173(3) .
O9 Zn5 2.083(3) .
O10 Zn2 1.939(2) 6_556
O10 Zn2 1.939(2) .
O10 Zn3 1.955(4) .
O10 Zn1 1.986(4) .
O11 O11 0.32(8) 6_556
O11 N1 1.43(3) 6_556
O11 Zn3 2.080(7) .
O12 N1 1.346(9) 6_556
O12 Zn4 2.226(5) .
O13 Zn5 1.831(3) .
O13 Zn5 1.831(3) 6_556
O13 Zn4 2.070(5) .
O13 H13A 0.8500 .
O13 H13B 0.8494 .
O14 Zn1 2.4220(8) .
O14 Zn1 2.4220(8) 5_766
O1W Zn1 2.217(4) .
O1W H1X 0.8499 .
O2W Zn4 2.090(4) .
O2W H2X 0.8500 .
O2W H2Y 0.8500 .
O3W Zn4 2.217(4) .
O3W H3X 0.8500 .
O3W H3Y 0.8500 .
O4W Zn5 2.006(3) .
O4W H4X 0.8501 .
O4W H4Y 0.8500 .
O5W O5W 1.21(2) 6
O5W H5X 0.8500 .
O5W H5Y 0.8500 .
O6W H6X 0.8500 .
O6W H6Y 0.8502 .
O7W H7X 0.8501 .
O7W H7Y 0.8501 .
O8W H8X 0.8501 .
O8W H8Y 0.8500 .
O9W H9X 0.8500 .
O9W H9Y 0.8499 .
O10W H10X 0.8500 .
O10W H10Y 0.8501 .
O11W O11W 1.104(15) 6_556
O11W H11X 0.8500 .
O11W H11Y 0.8393 .
O12W O12W 0.625(19) 6
O12W H12X 0.8501 .
O12W H12Y 0.8499 .
O13W O13W 1.53(2) 2_665
O13W H13X 0.8499 .
O13W H13Y 0.8501 .
O14W H14X 0.8501 .
O14W H14Y 0.8500 .
O15W H15X 0.8500 .
O15W H15Y 0.8502 .
Zn1 O2 1.952(3) 6_556
Zn1 Zn2 3.0782(9) .
Zn1 Zn2 3.0782(9) 6_556
Zn2 O6 1.912(3) 8_666
Zn2 Zn3 3.0941(9) .
Zn3 O5 2.059(3) 6_556
Zn3 O11 2.080(7) 6_556
Zn3 Zn2 3.0941(9) 6_556
Zn4 O7 1.974(3) 6_556
Zn5 O3 2.028(3) 4_645
Zn5 Zn5 2.9276(11) 6_556
Zn5 H13A 2.1337 .
Zn5 H13B 2.0854 .
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
O2 C1 C2 C7 9.5(7) . .
O1 C1 C2 C7 -179.3(4) . .
O2 C1 C2 C3 -171.2(4) . .
O1 C1 C2 C3 0.0(7) . .
C7 C2 C3 C4 -3.6(7) . .
C1 C2 C3 C4 177.1(4) . .
C2 C3 C4 C5 0.4(7) . .
C3 C4 C5 C9 -169.7(4) . .
C3 C4 C5 C6 2.8(6) . .
C4 C5 C6 C7 -3.0(6) . .
C9 C5 C6 C7 170.1(4) . .
C5 C6 C7 C2 0.0(7) . .
C3 C2 C7 C6 3.4(7) . .
C1 C2 C7 C6 -177.3(4) . .
C9 C8 C9 C10 -2.5(9) 6 .
C9 C8 C9 C5 173.3(4) 6 .
C4 C5 C9 C10 153.1(5) . .
C6 C5 C9 C10 -19.2(7) . .
C4 C5 C9 C8 -22.5(7) . .
C6 C5 C9 C8 165.1(5) . .
C8 C9 C10 C11 2.5(8) . .
C5 C9 C10 C11 -173.2(5) . .
C9 C10 C11 C10 -2.5(9) . 6
C9 C10 C11 C12 173.6(5) . .
C10 C11 C12 O3 -0.5(9) . .
C10 C11 C12 O3 175.8(5) 6 .
C10 C11 C12 O3 -175.8(5) . 6
C10 C11 C12 O3 0.5(9) 6 6
O4 C13 C14 C15 176.7(5) . .
O5 C13 C14 C15 6.9(7) . .
O4 C13 C14 C19 -6.1(7) . .
O5 C13 C14 C19 -175.9(4) . .
C19 C14 C15 C16 -0.9(7) . .
C13 C14 C15 C16 176.2(4) . .
C14 C15 C16 C17 -0.8(7) . .
C15 C16 C17 C18 -0.2(7) . .
C15 C16 C17 C21 -176.8(4) . .
C16 C17 C18 C19 2.6(7) . .
C21 C17 C18 C19 179.3(4) . .
C15 C14 C19 C18 3.6(7) . .
C13 C14 C19 C18 -173.7(4) . .
C17 C18 C19 C14 -4.3(7) . .
C21 C20 C21 C22 -4.5(9) 6 .
C21 C20 C21 C17 -179.0(4) 6 .
C16 C17 C21 C20 147.5(5) . .
C18 C17 C21 C20 -29.2(7) . .
C16 C17 C21 C22 -27.1(7) . .
C18 C17 C21 C22 156.2(4) . .
C20 C21 C22 C23 1.7(7) . .
C17 C21 C22 C23 176.4(5) . .
C21 C22 C23 C22 1.0(9) . 6
C21 C22 C23 C24 176.3(5) . .
C22 C23 C24 O6 -174.7(5) . .
C22 C23 C24 O6 0.8(9) 6 .
C22 C23 C24 O6 -0.8(9) . 6
C22 C23 C24 O6 174.7(5) 6 6
O7 C25 C26 C27 166.7(5) . .
O8 C25 C26 C27 -14.2(7) . .
O7 C25 C26 C31 -9.6(7) . .
O8 C25 C26 C31 169.6(4) . .
C31 C26 C27 C28 0.2(7) . .
C25 C26 C27 C28 -176.0(4) . .
C26 C27 C28 C29 -0.8(7) . .
C27 C28 C29 C30 0.8(7) . .
C27 C28 C29 C33 -173.1(4) . 7_765
C28 C29 C30 C31 -0.2(7) . .
C33 C29 C30 C31 173.7(4) 7_765 .
C27 C26 C31 C30 0.5(7) . .
C25 C26 C31 C30 176.7(4) . .
C29 C30 C31 C26 -0.4(7) . .
C33 C32 C33 C34 13.0(8) 6_556 .
C33 C32 C33 C29 -175.3(4) 6_556 7_756
C32 C33 C34 C35 -7.3(8) . .
C29 C33 C34 C35 -178.5(5) 7_756 .
C33 C34 C35 C34 1.3(10) . 6_556
C33 C34 C35 C36 178.6(5) . .
C34 C35 C36 O9 -2.1(10) . 6_556
C34 C35 C36 O9 175.1(5) 6_556 6_556
C34 C35 C36 O9 -175.1(5) . .
C34 C35 C36 O9 2.1(10) 6_556 .
O2 C1 O1 Zn2 23.9(7) . .
C2 C1 O1 Zn2 -146.2(3) . .
O1 C1 O2 Zn1 16.4(7) . .
C2 C1 O2 Zn1 -173.5(3) . .
O3 C12 O3 Zn5 28.2(9) 6 4_655
C11 C12 O3 Zn5 -147.1(4) . 4_655
O5 C13 O4 Zn2 -35.9(6) . .
C14 C13 O4 Zn2 154.9(4) . .
O4 C13 O5 Zn3 2.5(7) . .
C14 C13 O5 Zn3 172.5(3) . .
O6 C24 O6 Zn2 -7.9(10) 6 8_565
C23 C24 O6 Zn2 165.4(4) . 8_565
O8 C25 O7 Zn4 -21.0(9) . .
C26 C25 O7 Zn4 158.1(4) . .
O7 C25 O8 Zn5 -31.1(6) . .
C26 C25 O8 Zn5 149.7(3) . .
O9 C36 O9 Zn5 -11.8(9) 6_556 .
C35 C36 O9 Zn5 161.4(4) . .
O12 N1 O11 O11 -24.2(9) . 6_556
N1 N1 O11 O11 0.000(19) 6_556 6_556
O12 N1 O11 N1 -24.2(9) . 6_556
O11 N1 O11 N1 0.00(2) 6_556 6_556
O12 N1 O11 Zn3 87(3) . .
O11 N1 O11 Zn3 112(3) 6_556 .
N1 N1 O11 Zn3 112(3) 6_556 .
O11 N1 O12 N1 25.8(11) . 6_556
O11 N1 O12 N1 20.9(9) 6_556 6_556
O11 N1 O12 Zn4 -101.5(10) . .
O11 N1 O12 Zn4 -106.4(8) 6_556 .
N1 N1 O12 Zn4 -127.3(6) 6_556 .
C1 O2 Zn1 O2 169.8(3) . 6_556
C1 O2 Zn1 O10 -54.3(4) . .
C1 O2 Zn1 O1W 74.8(4) . .
C1 O2 Zn1 O14 -154.0(4) . .
C1 O2 Zn1 Zn2 -27.6(3) . .
C1 O2 Zn1 Zn2 -38.9(4) . 6_556
Zn2 O10 Zn1 O2 -46.08(19) 6_556 6_556
Zn2 O10 Zn1 O2 -164.61(13) . 6_556
Zn3 O10 Zn1 O2 74.65(10) . 6_556
Zn2 O10 Zn1 O2 164.61(13) 6_556 .
Zn2 O10 Zn1 O2 46.08(19) . .
Zn3 O10 Zn1 O2 -74.65(10) . .
Zn2 O10 Zn1 O1W 59.26(13) 6_556 .
Zn2 O10 Zn1 O1W -59.26(13) . .
Zn3 O10 Zn1 O1W 180.0 . .
Zn2 O10 Zn1 O14 -120.74(13) 6_556 .
Zn2 O10 Zn1 O14 120.74(13) . .
Zn3 O10 Zn1 O14 0.0 . .
Zn2 O10 Zn1 Zn2 118.5(3) 6_556 .
Zn3 O10 Zn1 Zn2 -120.74(13) . .
Zn2 O10 Zn1 Zn2 -118.5(3) . 6_556
Zn3 O10 Zn1 Zn2 120.74(13) . 6_556
Zn1 O14 Zn1 O2 167(100) 5_766 6_556
Zn1 O14 Zn1 O2 13(100) 5_766 .
Zn1 O14 Zn1 O10 -90(100) 5_766 .
Zn1 O14 Zn1 O1W 90(100) 5_766 .
Zn1 O14 Zn1 Zn2 -53(100) 5_766 .
Zn1 O14 Zn1 Zn2 -127(100) 5_766 6_556
C13 O4 Zn2 O6 159.8(3) . 8_666
C13 O4 Zn2 O10 33.5(4) . .
C13 O4 Zn2 O1 -83.0(3) . .
C13 O4 Zn2 Zn1 -11.7(4) . .
C13 O4 Zn2 Zn3 35.0(3) . .
Zn2 O10 Zn2 O6 -10.6(3) 6_556 8_666
Zn3 O10 Zn2 O6 -125.18(15) . 8_666
Zn1 O10 Zn2 O6 100.50(16) . 8_666
Zn2 O10 Zn2 O4 117.0(2) 6_556 .
Zn3 O10 Zn2 O4 2.5(2) . .
Zn1 O10 Zn2 O4 -131.83(15) . .
Zn2 O10 Zn2 O1 -131.38(19) 6_556 .
Zn3 O10 Zn2 O1 114.07(17) . .
Zn1 O10 Zn2 O1 -20.25(19) . .
Zn2 O10 Zn2 Zn1 -111.1(3) 6_556 .
Zn3 O10 Zn2 Zn1 134.3(2) . .
Zn2 O10 Zn2 Zn3 114.5(3) 6_556 .
Zn1 O10 Zn2 Zn3 -134.3(2) . .
C1 O1 Zn2 O6 -136.8(4) . 8_666
C1 O1 Zn2 O4 106.8(4) . .
C1 O1 Zn2 O10 -18.7(4) . .
C1 O1 Zn2 Zn1 -32.0(4) . .
C1 O1 Zn2 Zn3 20.7(4) . .
O2 Zn1 Zn2 O6 -68.83(18) 6_556 8_666
O2 Zn1 Zn2 O6 131.29(14) . 8_666
O10 Zn1 Zn2 O6 -93.38(19) . 8_666
O1W Zn1 Zn2 O6 41.56(12) . 8_666
O14 Zn1 Zn2 O6 -167.11(10) . 8_666
Zn2 Zn1 Zn2 O6 -56.42(10) 6_556 8_666
O2 Zn1 Zn2 O4 102.8(2) 6_556 .
O2 Zn1 Zn2 O4 -57.12(17) . .
O10 Zn1 Zn2 O4 78.2(2) . .
O1W Zn1 Zn2 O4 -146.85(16) . .
O14 Zn1 Zn2 O4 4.49(15) . .
Zn2 Zn1 Zn2 O4 115.18(14) 6_556 .
O2 Zn1 Zn2 O10 24.6(2) 6_556 .
O2 Zn1 Zn2 O10 -135.33(19) . .
O1W Zn1 Zn2 O10 134.94(17) . .
O14 Zn1 Zn2 O10 -73.72(16) . .
Zn2 Zn1 Zn2 O10 36.97(16) 6_556 .
O2 Zn1 Zn2 O1 -175.81(18) 6_556 .
O2 Zn1 Zn2 O1 24.31(13) . .
O10 Zn1 Zn2 O1 159.64(19) . .
O1W Zn1 Zn2 O1 -65.42(11) . .
O14 Zn1 Zn2 O1 85.92(10) . .
Zn2 Zn1 Zn2 O1 -163.39(10) 6_556 .
O2 Zn1 Zn2 Zn3 52.30(15) 6_556 .
O2 Zn1 Zn2 Zn3 -107.58(10) . .
O10 Zn1 Zn2 Zn3 27.75(16) . .
O1W Zn1 Zn2 Zn3 162.69(7) . .
O14 Zn1 Zn2 Zn3 -45.98(2) . .
Zn2 Zn1 Zn2 Zn3 64.714(17) 6_556 .
Zn2 O10 Zn3 O5 21.68(18) 6_556 6_556
Zn2 O10 Zn3 O5 141.88(14) . 6_556
Zn1 O10 Zn3 O5 -98.22(10) . 6_556
Zn2 O10 Zn3 O5 -141.88(14) 6_556 .
Zn2 O10 Zn3 O5 -21.68(18) . .
Zn1 O10 Zn3 O5 98.22(10) . .
Zn2 O10 Zn3 O11 124.6(12) 6_556 .
Zn2 O10 Zn3 O11 -115.2(12) . .
Zn1 O10 Zn3 O11 4.7(12) . .
Zn2 O10 Zn3 O11 115.2(12) 6_556 6_556
Zn2 O10 Zn3 O11 -124.6(12) . 6_556
Zn1 O10 Zn3 O11 -4.7(12) . 6_556
Zn2 O10 Zn3 Zn2 120.2(3) . 6_556
Zn1 O10 Zn3 Zn2 -119.90(14) . 6_556
Zn2 O10 Zn3 Zn2 -120.2(3) 6_556 .
Zn1 O10 Zn3 Zn2 119.90(14) . .
C13 O5 Zn3 O10 31.9(5) . .
C13 O5 Zn3 O5 -113.6(5) . 6_556
C13 O5 Zn3 O11 141.5(5) . .
C13 O5 Zn3 O11 143.6(5) . 6_556
C13 O5 Zn3 Zn2 3.1(5) . 6_556
C13 O5 Zn3 Zn2 17.9(4) . .
O11 O11 Zn3 O10 -91.5(4) 6_556 .
N1 O11 Zn3 O10 145(3) . .
N1 O11 Zn3 O10 -129.9(14) 6_556 .
O11 O11 Zn3 O5 14.30(11) 6_556 6_556
N1 O11 Zn3 O5 -109(3) . 6_556
N1 O11 Zn3 O5 -24.1(18) 6_556 6_556
O11 O11 Zn3 O5 165.84(9) 6_556 .
N1 O11 Zn3 O5 42(3) . .
N1 O11 Zn3 O5 127.5(18) 6_556 .
N1 O11 Zn3 O11 -124(3) . 6_556
N1 O11 Zn3 O11 -38.4(18) 6_556 6_556
O11 O11 Zn3 Zn2 -53.6(7) 6_556 6_556
N1 O11 Zn3 Zn2 -177(3) . 6_556
N1 O11 Zn3 Zn2 -92.0(12) 6_556 6_556
O11 O11 Zn3 Zn2 -130.9(5) 6_556 .
N1 O11 Zn3 Zn2 105(3) . .
N1 O11 Zn3 Zn2 -169.2(13) 6_556 .
O6 Zn2 Zn3 O10 72.2(2) 8_666 .
O4 Zn2 Zn3 O10 -177.83(19) . .
O1 Zn2 Zn3 O10 -82.1(2) . .
Zn1 Zn2 Zn3 O10 -28.65(17) . .
O6 Zn2 Zn3 O5 21.01(17) 8_666 6_556
O4 Zn2 Zn3 O5 130.99(15) . 6_556
O10 Zn2 Zn3 O5 -51.2(2) . 6_556
O1 Zn2 Zn3 O5 -133.28(16) . 6_556
Zn1 Zn2 Zn3 O5 -79.84(12) . 6_556
O6 Zn2 Zn3 O5 -130.81(15) 8_666 .
O4 Zn2 Zn3 O5 -20.83(13) . .
O10 Zn2 Zn3 O5 157.0(2) . .
O1 Zn2 Zn3 O5 74.90(15) . .
Zn1 Zn2 Zn3 O5 128.35(10) . .
O6 Zn2 Zn3 O11 154.1(10) 8_666 .
O4 Zn2 Zn3 O11 -95.9(10) . .
O10 Zn2 Zn3 O11 81.9(10) . .
O1 Zn2 Zn3 O11 -0.2(10) . .
Zn1 Zn2 Zn3 O11 53.3(10) . .
O6 Zn2 Zn3 O11 145.9(12) 8_666 6_556
O4 Zn2 Zn3 O11 -104.1(12) . 6_556
O10 Zn2 Zn3 O11 73.7(12) . 6_556
O1 Zn2 Zn3 O11 -8.4(12) . 6_556
Zn1 Zn2 Zn3 O11 45.0(11) . 6_556
O6 Zn2 Zn3 Zn2 36.37(12) 8_666 6_556
O4 Zn2 Zn3 Zn2 146.35(9) . 6_556
O10 Zn2 Zn3 Zn2 -35.82(17) . 6_556
O1 Zn2 Zn3 Zn2 -117.92(11) . 6_556
Zn1 Zn2 Zn3 Zn2 -64.477(17) . 6_556
C25 O7 Zn4 O7 -47.1(12) . 6_556
C25 O7 Zn4 O13 40.7(6) . .
C25 O7 Zn4 O2W -52.4(6) . .
C25 O7 Zn4 O3W 127.9(6) . .
C25 O7 Zn4 O12 -152.3(6) . .
Zn5 O13 Zn4 O7 159.9(3) . 6_556
Zn5 O13 Zn4 O7 4.9(3) 6_556 6_556
Zn5 O13 Zn4 O7 -4.9(3) . .
Zn5 O13 Zn4 O7 -159.9(3) 6_556 .
Zn5 O13 Zn4 O2W 77.5(3) . .
Zn5 O13 Zn4 O2W -77.5(3) 6_556 .
Zn5 O13 Zn4 O3W -102.5(3) . .
Zn5 O13 Zn4 O3W 102.5(3) 6_556 .
Zn5 O13 Zn4 O12 -102.5(3) . .
Zn5 O13 Zn4 O12 102.5(3) 6_556 .
N1 O12 Zn4 O7 49.5(6) 6_556 6_556
N1 O12 Zn4 O7 145.2(6) . 6_556
N1 O12 Zn4 O7 -145.2(6) 6_556 .
N1 O12 Zn4 O7 -49.5(6) . .
N1 O12 Zn4 O13 -47.9(6) 6_556 .
N1 O12 Zn4 O13 47.9(6) . .
N1 O12 Zn4 O2W 132.1(6) 6_556 .
N1 O12 Zn4 O2W -132.1(6) . .
N1 O12 Zn4 O3W -47.9(6) 6_556 .
N1 O12 Zn4 O3W 47.9(6) . .
Zn5 O13 Zn5 O4W -121.1(2) 6_556 .
Zn4 O13 Zn5 O4W 80.1(3) . .
Zn5 O13 Zn5 O3 42.7(2) 6_556 4_645
Zn4 O13 Zn5 O3 -116.1(2) . 4_645
Zn5 O13 Zn5 O9 -61.0(2) 6_556 .
Zn4 O13 Zn5 O9 140.1(2) . .
Zn5 O13 Zn5 O8 140.31(19) 6_556 .
Zn4 O13 Zn5 O8 -18.6(3) . .
Zn4 O13 Zn5 Zn5 -158.9(4) . 6_556
C36 O9 Zn5 O13 38.6(5) . .
C36 O9 Zn5 O4W 172.7(5) . .
C36 O9 Zn5 O3 -70.4(5) . 4_645
C36 O9 Zn5 O8 168.9(4) . .
C36 O9 Zn5 Zn5 6.3(5) . 6_556
C25 O8 Zn5 O13 43.6(4) . .
C25 O8 Zn5 O4W -89.5(3) . .
C25 O8 Zn5 O3 151.8(3) . 4_645
C25 O8 Zn5 O9 -86.1(4) . .
C25 O8 Zn5 Zn5 72.3(4) . 6_556
