#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:55:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179431 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/28/4332823.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332823
loop_
_publ_author_name
'Sun, Daofeng'
'Ke, Yanxiong'
'Mattox, Tracy M.'
'Parkin, Sean'
'Zhou, Hong-Cai'
_publ_section_title
;
 Stability and Porosity Enhancement through Concurrent Ligand Extension
 and Secondary Building Unit Stabilization
;
_journal_issue                   19
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7566
_journal_page_last               7568
_journal_paper_doi               10.1021/ic0609002
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'Zn8 4(O H) 4(C45 H27 O6)'
_chemical_formula_sum            'C180 H112 N0 O28 Zn8'
_chemical_formula_weight         3245.66
_chemical_melting_point          ?
_chemical_name_common            none
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 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                 108.373(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.6215(9)
_cell_length_b                   15.0763(3)
_cell_length_c                   42.9953(9)
_cell_measurement_temperature    90(2)
_cell_volume                     21298.0(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0939
_diffrn_reflns_av_sigmaI/netI    0.0568
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            123280
_diffrn_reflns_theta_full        68.09
_diffrn_reflns_theta_max         68.09
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    1.410
_exptl_absorpt_correction_T_max  0.9723
_exptl_absorpt_correction_T_min  0.8058
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadas
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.012
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             6624
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       0.0000009(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     974
_refine_ls_number_reflns         19052
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0861P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1465
_reflns_number_gt                13723
_reflns_number_total             19052
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0609002sup2.cif
_cod_data_source_block           x05087s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic' changed to 'monoclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        21298.0(8)
_cod_original_sg_symbol_H-M      I2/a
_cod_database_code               4332823
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -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
Zn1 Zn 1.300986(12) 0.11749(3) -0.207205(9) 0.02904(11) Uani 1 1 d .
Zn2 Zn 1.369651(13) 0.28598(3) -0.279800(10) 0.03026(12) Uani 1 1 d .
Zn3 Zn 1.391141(14) 0.19708(3) -0.214168(10) 0.03394(12) Uani 1 1 d .
Zn4 Zn 1.281722(12) 0.25012(3) -0.268782(9) 0.02684(11) Uani 1 1 d .
O1 O 1.27902(6) 0.23367(13) -0.21990(5) 0.0296(5) Uani 1 1 d .
C1A C 1.37318(10) -0.4599(2) -0.38530(8) 0.0349(8) Uani 1 1 d .
C2A C 1.39977(10) -0.5256(2) -0.36780(8) 0.0359(8) Uani 1 1 d .
H2A H 1.4117 -0.5198 -0.3448 0.043 Uiso 1 1 calc R
C3A C 1.40893(10) -0.5988(2) -0.38349(8) 0.0330(7) Uani 1 1 d .
C4A C 1.39073(10) -0.6062(2) -0.41744(8) 0.0368(8) Uani 1 1 d .
H4A H 1.3964 -0.6569 -0.4284 0.044 Uiso 1 1 calc R
O5A O 1.21448(9) -0.73515(19) -0.68438(6) 0.0527(7) Uani 1 1 d .
O6A O 1.16147(7) -0.66015(16) -0.67912(5) 0.0397(6) Uani 1 1 d .
C7A C 1.36192(11) -0.3839(2) -0.36812(8) 0.0367(8) Uani 1 1 d .
C8A C 1.35408(12) -0.3006(2) -0.38294(9) 0.0420(9) Uani 1 1 d .
H8A H 1.3567 -0.2920 -0.4041 0.050 Uiso 1 1 calc R
C9A C 1.34242(12) -0.2297(2) -0.36701(9) 0.0420(9) Uani 1 1 d .
H9A H 1.3371 -0.1736 -0.3775 0.050 Uiso 1 1 calc R
C10A C 1.33842(11) -0.2400(2) -0.33604(8) 0.0375(8) Uani 1 1 d .
C11A C 1.34576(11) -0.3237(2) -0.32115(9) 0.0399(8) Uani 1 1 d .
H11A H 1.3430 -0.3323 -0.3001 0.048 Uiso 1 1 calc R
C12A C 1.35704(11) -0.3939(2) -0.33714(8) 0.0370(8) Uani 1 1 d .
H12A H 1.3616 -0.4504 -0.3269 0.044 Uiso 1 1 calc R
C13A C 1.32913(11) -0.1626(2) -0.31818(8) 0.0364(8) Uani 1 1 d .
C14A C 1.30296(12) -0.0952(2) -0.33439(9) 0.0436(9) Uani 1 1 d .
H14A H 1.2895 -0.0995 -0.3573 0.052 Uiso 1 1 calc R
C15A C 1.29648(11) -0.0217(2) -0.31721(8) 0.0416(9) Uani 1 1 d .
H15A H 1.2789 0.0245 -0.3285 0.050 Uiso 1 1 calc R
C16A C 1.31547(10) -0.0151(2) -0.28360(8) 0.0324(7) Uani 1 1 d .
C17A C 1.34162(10) -0.0821(2) -0.26730(8) 0.0342(7) Uani 1 1 d .
H17A H 1.3550 -0.0777 -0.2444 0.041 Uiso 1 1 calc R
C18A C 1.34807(11) -0.1554(2) -0.28453(8) 0.0360(8) Uani 1 1 d .
H18A H 1.3657 -0.2013 -0.2732 0.043 Uiso 1 1 calc R
C19A C 1.30896(10) 0.0633(2) -0.26486(8) 0.0313(7) Uani 1 1 d .
O1A O 1.28066(7) 0.11585(14) -0.27890(6) 0.0368(6) Uani 1 1 d .
O2A O 1.33192(7) 0.07245(14) -0.23546(5) 0.0351(5) Uani 1 1 d .
C20A C 1.43633(10) -0.6713(2) -0.36503(8) 0.0345(8) Uani 1 1 d .
C21A C 1.43751(10) -0.6935(2) -0.33324(9) 0.0382(8) Uani 1 1 d .
H21A H 1.4230 -0.6586 -0.3223 0.046 Uiso 1 1 calc R
C22A C 1.46008(11) -0.7672(2) -0.31740(9) 0.0382(8) Uani 1 1 d .
H22A H 1.4604 -0.7816 -0.2958 0.046 Uiso 1 1 calc R
C23A C 1.48170(10) -0.8190(2) -0.33248(9) 0.0375(8) Uani 1 1 d .
C24A C 1.48168(11) -0.7939(2) -0.36395(9) 0.0397(8) Uani 1 1 d .
H24A H 1.4972 -0.8272 -0.3746 0.048 Uiso 1 1 calc R
C25A C 1.45929(11) -0.7212(2) -0.37970(9) 0.0399(8) Uani 1 1 d .
H25A H 1.4598 -0.7054 -0.4010 0.048 Uiso 1 1 calc R
C26A C 1.50425(10) -0.9002(2) -0.31684(9) 0.0384(8) Uani 1 1 d .
C27A C 1.51877(10) -0.9093(2) -0.28302(9) 0.0385(8) Uani 1 1 d .
H27A H 1.5143 -0.8632 -0.2695 0.046 Uiso 1 1 calc R
C28A C 1.53985(10) -0.9852(2) -0.26866(8) 0.0367(8) Uani 1 1 d .
H28A H 1.5501 -0.9901 -0.2455 0.044 Uiso 1 1 calc R
C29A C 1.54595(10) -1.0541(2) -0.28838(9) 0.0362(8) Uani 1 1 d .
C30A C 1.53076(11) -1.0454(2) -0.32199(9) 0.0428(9) Uani 1 1 d .
H30A H 1.5344 -1.0923 -0.3356 0.051 Uiso 1 1 calc R
C31A C 1.51038(11) -0.9700(2) -0.33613(9) 0.0436(9) Uani 1 1 d .
H31A H 1.5003 -0.9652 -0.3593 0.052 Uiso 1 1 calc R
C32A C 1.56898(10) -1.1362(2) -0.27362(9) 0.0371(8) Uani 1 1 d .
O3A O 1.58455(7) -1.13719(16) -0.24272(6) 0.0414(6) Uani 1 1 d .
O4A O 1.57223(8) -1.19529(15) -0.29320(6) 0.0424(6) Uani 1 1 d .
C33A C 1.34355(11) -0.5546(2) -0.47161(8) 0.0417(9) Uani 1 1 d .
C34A C 1.35491(18) -0.6172(4) -0.48936(11) 0.089(2) Uani 1 1 d .
H34A H 1.3789 -0.6505 -0.4793 0.107 Uiso 1 1 calc R
C35A C 1.33290(18) -0.6346(4) -0.52173(11) 0.087(2) Uani 1 1 d .
H35A H 1.3419 -0.6800 -0.5331 0.105 Uiso 1 1 calc R
C36A C 1.29831(12) -0.5877(3) -0.53779(9) 0.0460(9) Uani 1 1 d .
C37A C 1.29027(16) -0.5186(3) -0.52150(10) 0.0729(16) Uani 1 1 d .
H37A H 1.2688 -0.4796 -0.5325 0.087 Uiso 1 1 calc R
C38A C 1.31230(15) -0.5016(3) -0.48875(10) 0.0710(16) Uani 1 1 d .
H38A H 1.3053 -0.4517 -0.4782 0.085 Uiso 1 1 calc R
C39A C 1.27278(12) -0.6103(3) -0.57213(9) 0.0455(9) Uani 1 1 d .
C40A C 1.28922(13) -0.6494(3) -0.59394(10) 0.0573(11) Uani 1 1 d .
H40A H 1.3176 -0.6610 -0.5873 0.069 Uiso 1 1 calc R
C41A C 1.26572(13) -0.6720(3) -0.62508(9) 0.0545(11) Uani 1 1 d .
H41A H 1.2780 -0.6990 -0.6396 0.065 Uiso 1 1 calc R
C42A C 1.22407(10) -0.6557(2) -0.63555(8) 0.0378(8) Uani 1 1 d .
C43A C 1.20744(12) -0.6135(3) -0.61427(9) 0.0541(11) Uani 1 1 d .
H43A H 1.1793 -0.5993 -0.6213 0.065 Uiso 1 1 calc R
C44A C 1.23135(12) -0.5917(3) -0.58279(10) 0.0585(12) Uani 1 1 d .
H44A H 1.2193 -0.5636 -0.5683 0.070 Uiso 1 1 calc R
C45A C 1.19852(12) -0.6849(2) -0.66898(8) 0.0406(9) Uani 1 1 d .
C5A C 1.36461(11) -0.5416(2) -0.43553(8) 0.0381(8) Uani 1 1 d .
C6A C 1.35660(11) -0.4685(2) -0.41923(8) 0.0389(8) Uani 1 1 d .
H6A H 1.3394 -0.4231 -0.4314 0.047 Uiso 1 1 calc R
O2 O 1.34525(7) 0.26289(13) -0.24485(5) 0.0326(5) Uani 1 1 d .
C1B C 1.49603(10) -0.4314(2) -0.36407(7) 0.0305(7) Uani 1 1 d .
C2B C 1.52689(10) -0.4840(2) -0.34406(8) 0.0344(8) Uani 1 1 d .
H2B H 1.5369 -0.4722 -0.3212 0.041 Uiso 1 1 calc R
C3B C 1.54329(10) -0.5534(2) -0.35686(8) 0.0332(7) Uani 1 1 d .
C4B C 1.52933(11) -0.5689(2) -0.39044(8) 0.0357(8) Uani 1 1 d .
H4B H 1.5416 -0.6141 -0.3995 0.043 Uiso 1 1 calc R
C5B C 1.49748(10) -0.5188(2) -0.41109(8) 0.0343(8) Uani 1 1 d .
C6B C 1.48124(10) -0.4506(2) -0.39722(8) 0.0338(7) Uani 1 1 d .
H6B H 1.4594 -0.4164 -0.4109 0.041 Uiso 1 1 calc R
C7B C 1.48015(10) -0.3542(2) -0.35003(8) 0.0325(7) Uani 1 1 d .
C8B C 1.47028(11) -0.2754(2) -0.36772(8) 0.0371(8) Uani 1 1 d .
H8B H 1.4728 -0.2717 -0.3891 0.044 Uiso 1 1 calc R
C9B C 1.45693(11) -0.2029(2) -0.35462(9) 0.0397(8) Uani 1 1 d .
H9B H 1.4503 -0.1498 -0.3671 0.048 Uiso 1 1 calc R
C10B C 1.45292(10) -0.2057(2) -0.32327(8) 0.0332(7) Uani 1 1 d .
C11B C 1.46175(11) -0.2855(2) -0.30629(8) 0.0391(8) Uani 1 1 d .
H11B H 1.4584 -0.2900 -0.2853 0.047 Uiso 1 1 calc R
C12B C 1.47528(11) -0.3579(2) -0.31931(8) 0.0361(8) Uani 1 1 d .
H12B H 1.4814 -0.4114 -0.3070 0.043 Uiso 1 1 calc R
C13B C 1.44032(11) -0.1259(2) -0.30872(8) 0.0358(8) Uani 1 1 d .
C14B C 1.41526(11) -0.0616(2) -0.32845(8) 0.0390(8) Uani 1 1 d .
H14B H 1.4055 -0.0700 -0.3515 0.047 Uiso 1 1 calc R
C15B C 1.40441(11) 0.0133(2) -0.31528(8) 0.0375(8) Uani 1 1 d .
H15B H 1.3875 0.0564 -0.3292 0.045 Uiso 1 1 calc R
C16B C 1.41799(10) 0.0268(2) -0.28150(8) 0.0330(7) Uani 1 1 d .
C17B C 1.44271(10) -0.0363(2) -0.26160(8) 0.0347(7) Uani 1 1 d .
H17B H 1.4522 -0.0277 -0.2385 0.042 Uiso 1 1 calc R
C18B C 1.45388(10) -0.1119(2) -0.27490(8) 0.0345(7) Uani 1 1 d .
H18B H 1.4709 -0.1547 -0.2609 0.041 Uiso 1 1 calc R
C19B C 1.40524(10) 0.1078(2) -0.26741(8) 0.0326(7) Uani 1 1 d .
O1B O 1.38537(7) 0.16550(15) -0.28752(5) 0.0371(5) Uani 1 1 d .
O2B O 1.41604(7) 0.11399(14) -0.23690(5) 0.0348(5) Uani 1 1 d .
C20B C 1.57384(10) -0.6142(2) -0.33484(8) 0.0342(8) Uani 1 1 d .
C21B C 1.56179(10) -0.6634(2) -0.31204(8) 0.0334(7) Uani 1 1 d .
H21B H 1.5359 -0.6533 -0.3094 0.040 Uiso 1 1 calc R
C22B C 1.58753(10) -0.7267(2) -0.29340(8) 0.0352(8) Uani 1 1 d .
H22B H 1.5789 -0.7606 -0.2782 0.042 Uiso 1 1 calc R
C23B C 1.62588(10) -0.7421(2) -0.29629(8) 0.0355(8) Uani 1 1 d .
C24B C 1.63811(12) -0.6892(2) -0.31805(11) 0.0515(10) Uani 1 1 d .
H24B H 1.6647 -0.6960 -0.3197 0.062 Uiso 1 1 calc R
C25B C 1.61211(12) -0.6271(3) -0.33724(11) 0.0507(10) Uani 1 1 d .
H25B H 1.6208 -0.5928 -0.3523 0.061 Uiso 1 1 calc R
C26B C 1.65192(10) -0.8147(2) -0.27737(9) 0.0359(8) Uani 1 1 d .
C27B C 1.69430(11) -0.8067(2) -0.26470(11) 0.0494(10) Uani 1 1 d .
H27B H 1.7070 -0.7523 -0.2670 0.059 Uiso 1 1 calc R
C28B C 1.71780(11) -0.8775(2) -0.24877(10) 0.0474(10) Uani 1 1 d .
H28B H 1.7465 -0.8713 -0.2401 0.057 Uiso 1 1 calc R
C29B C 1.69979(10) -0.9570(2) -0.24545(8) 0.0342(8) Uani 1 1 d .
C30B C 1.65780(10) -0.9646(2) -0.25729(9) 0.0394(8) Uani 1 1 d .
H30B H 1.6451 -1.0186 -0.2546 0.047 Uiso 1 1 calc R
C31B C 1.63438(11) -0.8938(2) -0.27293(9) 0.0390(8) Uani 1 1 d .
H31B H 1.6056 -0.8998 -0.2808 0.047 Uiso 1 1 calc R
C32B C 1.72520(10) -1.0356(2) -0.23099(8) 0.0359(8) Uani 1 1 d .
O3B O 1.76171(7) -1.02156(15) -0.21380(6) 0.0402(6) Uani 1 1 d .
O4B O 1.70919(7) -1.10997(14) -0.23744(7) 0.0443(6) Uani 1 1 d .
C33B C 1.48084(11) -0.5394(2) -0.44662(8) 0.0362(8) Uani 1 1 d .
C34B C 1.48283(13) -0.6229(3) -0.45901(9) 0.0486(10) Uani 1 1 d .
H34B H 1.4953 -0.6696 -0.4444 0.058 Uiso 1 1 calc R
C35B C 1.46702(13) -0.6404(3) -0.49228(9) 0.0495(10) Uani 1 1 d .
H35B H 1.4692 -0.6986 -0.5001 0.059 Uiso 1 1 calc R
C36B C 1.44826(11) -0.5752(2) -0.51431(8) 0.0411(8) Uani 1 1 d .
C37B C 1.44677(12) -0.4903(3) -0.50207(9) 0.0475(9) Uani 1 1 d .
H37B H 1.4344 -0.4439 -0.5168 0.057 Uiso 1 1 calc R
C38B C 1.46278(12) -0.4720(3) -0.46901(9) 0.0488(10) Uani 1 1 d .
H38B H 1.4616 -0.4133 -0.4614 0.059 Uiso 1 1 calc R
C39B C 1.43053(11) -0.5930(3) -0.55005(8) 0.0412(9) Uani 1 1 d .
C40B C 1.44796(11) -0.6509(3) -0.56650(8) 0.0423(9) Uani 1 1 d .
H40B H 1.4717 -0.6828 -0.5546 0.051 Uiso 1 1 calc R
C41B C 1.43151(11) -0.6639(2) -0.60020(8) 0.0394(8) Uani 1 1 d .
H41B H 1.4445 -0.7027 -0.6112 0.047 Uiso 1 1 calc R
C42B C 1.39625(11) -0.6199(2) -0.61748(8) 0.0378(8) Uani 1 1 d .
C43B C 1.37847(12) -0.5610(3) -0.60134(9) 0.0483(10) Uani 1 1 d .
H43B H 1.3543 -0.5306 -0.6132 0.058 Uiso 1 1 calc R
C44B C 1.39557(12) -0.5460(3) -0.56799(9) 0.0500(10) Uani 1 1 d .
H44B H 1.3837 -0.5039 -0.5573 0.060 Uiso 1 1 calc R
C45B C 1.37646(11) -0.6345(2) -0.65317(8) 0.0366(8) Uani 1 1 d .
O5B O 1.39709(7) -0.66852(15) -0.66934(5) 0.0372(5) Uani 1 1 d .
O6B O 1.33979(7) -0.60976(17) -0.66411(5) 0.0425(6) 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 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
O6B Zn1 O1 115.10(10) 8_545 .
O6B Zn1 O3B 109.90(10) 8_545 6_545
O1 Zn1 O3B 116.19(9) . 6_545
O6B Zn1 O2A 102.86(10) 8_545 .
O1 Zn1 O2A 112.44(9) . .
O3B Zn1 O2A 98.30(10) 6_545 .
O6A Zn2 O1B 109.87(10) 2_764 .
O6A Zn2 O3A 109.56(10) 2_764 4_764
O1B Zn2 O3A 114.13(10) . 4_764
O6A Zn2 O2 121.37(10) 2_764 .
O1B Zn2 O2 100.04(10) . .
O3A Zn2 O2 101.68(10) 4_764 .
O6A Zn2 Zn3 161.59(8) 2_764 .
O1B Zn2 Zn3 75.20(7) . .
O3A Zn2 Zn3 82.93(7) 4_764 .
O2 Zn2 Zn3 40.81(6) . .
O5B Zn3 O2B 115.75(10) 8_545 .
O5B Zn3 O2 126.15(10) 8_545 .
O2B Zn3 O2 112.11(9) . .
O5B Zn3 O4A 99.15(10) 8_545 4_764
O2B Zn3 O4A 103.86(10) . 4_764
O2 Zn3 O4A 91.96(9) . 4_764
O5B Zn3 Zn2 163.85(7) 8_545 .
O2B Zn3 Zn2 80.39(7) . .
O2 Zn3 Zn2 40.59(7) . .
O4A Zn3 Zn2 75.28(7) 4_764 .
O1 Zn4 O1A 96.87(9) 7_754 .
O1 Zn4 O5A 97.66(10) 7_754 2_764
O1A Zn4 O5A 84.42(11) . 2_764
O1 Zn4 O2 161.35(9) 7_754 .
O1A Zn4 O2 97.91(8) . .
O5A Zn4 O2 95.04(10) 2_764 .
O1 Zn4 O4B 90.68(9) 7_754 4_764
O1A Zn4 O4B 169.89(11) . 4_764
O5A Zn4 O4B 87.93(11) 2_764 4_764
O2 Zn4 O4B 76.16(8) . 4_764
O1 Zn4 O1 83.48(8) 7_754 .
O1A Zn4 O1 95.14(9) . .
O5A Zn4 O1 178.82(11) 2_764 .
O2 Zn4 O1 83.93(8) . .
O4B Zn4 O1 92.39(10) 4_764 .
O1 Zn4 Zn4 43.32(6) 7_754 7_754
O1A Zn4 Zn4 98.02(7) . 7_754
O5A Zn4 Zn4 140.98(8) 2_764 7_754
O2 Zn4 Zn4 122.82(7) . 7_754
O4B Zn4 Zn4 92.09(8) 4_764 7_754
O1 Zn4 Zn4 40.16(6) . 7_754
Zn1 O1 Zn4 117.93(11) . 7_754
Zn1 O1 Zn4 104.37(10) . .
Zn4 O1 Zn4 96.52(8) 7_754 .
C6A C1A C2A 118.7(3) . .
C6A C1A C7A 120.5(3) . .
C2A C1A C7A 120.8(3) . .
C3A C2A C1A 121.1(3) . .
C3A C2A H2A 119.5 . .
C1A C2A H2A 119.5 . .
C2A C3A C4A 118.4(3) . .
C2A C3A C20A 121.9(3) . .
C4A C3A C20A 119.6(3) . .
C5A C4A C3A 121.8(3) . .
C5A C4A H4A 119.1 . .
C3A C4A H4A 119.1 . .
C45A O5A Zn4 139.2(2) . 2_744
C45A O6A Zn2 113.6(2) . 2_744
C8A C7A C12A 117.8(3) . .
C8A C7A C1A 120.8(3) . .
C12A C7A C1A 121.4(3) . .
C9A C8A C7A 120.6(3) . .
C9A C8A H8A 119.7 . .
C7A C8A H8A 119.7 . .
C10A C9A C8A 121.1(3) . .
C10A C9A H9A 119.4 . .
C8A C9A H9A 119.4 . .
C9A C10A C11A 118.6(3) . .
C9A C10A C13A 120.7(3) . .
C11A C10A C13A 120.6(3) . .
C12A C11A C10A 120.0(3) . .
C12A C11A H11A 120.0 . .
C10A C11A H11A 120.0 . .
C11A C12A C7A 121.9(3) . .
C11A C12A H12A 119.1 . .
C7A C12A H12A 119.1 . .
C18A C13A C14A 118.8(3) . .
C18A C13A C10A 119.4(3) . .
C14A C13A C10A 121.8(3) . .
C15A C14A C13A 120.3(3) . .
C15A C14A H14A 119.8 . .
C13A C14A H14A 119.8 . .
C14A C15A C16A 120.5(3) . .
C14A C15A H15A 119.8 . .
C16A C15A H15A 119.8 . .
C15A C16A C17A 119.5(3) . .
C15A C16A C19A 121.2(3) . .
C17A C16A C19A 119.3(3) . .
C18A C17A C16A 119.9(3) . .
C18A C17A H17A 120.0 . .
C16A C17A H17A 120.0 . .
C17A C18A C13A 121.0(3) . .
C17A C18A H18A 119.5 . .
C13A C18A H18A 119.5 . .
O1A C19A O2A 123.9(3) . .
O1A C19A C16A 118.0(3) . .
O2A C19A C16A 118.1(3) . .
C19A O1A Zn4 123.83(19) . .
C19A O2A Zn1 111.0(2) . .
C25A C20A C21A 118.3(3) . .
C25A C20A C3A 120.9(3) . .
C21A C20A C3A 120.7(3) . .
C20A C21A C22A 120.3(3) . .
C20A C21A H21A 119.8 . .
C22A C21A H21A 119.8 . .
C23A C22A C21A 121.5(3) . .
C23A C22A H22A 119.3 . .
C21A C22A H22A 119.3 . .
C22A C23A C24A 117.8(3) . .
C22A C23A C26A 122.5(3) . .
C24A C23A C26A 119.7(3) . .
C25A C24A C23A 120.8(3) . .
C25A C24A H24A 119.6 . .
C23A C24A H24A 119.6 . .
C20A C25A C24A 121.3(3) . .
C20A C25A H25A 119.4 . .
C24A C25A H25A 119.4 . .
C27A C26A C31A 118.4(3) . .
C27A C26A C23A 121.2(3) . .
C31A C26A C23A 120.4(3) . .
C26A C27A C28A 120.8(3) . .
C26A C27A H27A 119.6 . .
C28A C27A H27A 119.6 . .
C27A C28A C29A 120.0(3) . .
C27A C28A H28A 120.0 . .
C29A C28A H28A 120.0 . .
C30A C29A C28A 119.0(3) . .
C30A C29A C32A 119.8(3) . .
C28A C29A C32A 121.2(3) . .
C31A C30A C29A 121.0(3) . .
C31A C30A H30A 119.5 . .
C29A C30A H30A 119.5 . .
C30A C31A C26A 120.9(3) . .
C30A C31A H31A 119.6 . .
C26A C31A H31A 119.6 . .
O4A C32A O3A 126.7(3) . .
O4A C32A C29A 116.7(3) . .
O3A C32A C29A 116.5(3) . .
C32A O3A Zn2 122.4(2) . 4_734
C32A O4A Zn3 130.5(2) . 4_734
C34A C33A C38A 115.4(3) . .
C34A C33A C5A 122.8(3) . .
C38A C33A C5A 121.8(3) . .
C33A C34A C35A 122.4(4) . .
C33A C34A H34A 118.8 . .
C35A C34A H34A 118.8 . .
C36A C35A C34A 121.6(4) . .
C36A C35A H35A 119.2 . .
C34A C35A H35A 119.2 . .
C37A C36A C35A 115.5(3) . .
C37A C36A C39A 122.6(3) . .
C35A C36A C39A 121.8(4) . .
C36A C37A C38A 122.3(4) . .
C36A C37A H37A 118.8 . .
C38A C37A H37A 118.8 . .
C33A C38A C37A 121.8(4) . .
C33A C38A H38A 119.1 . .
C37A C38A H38A 119.1 . .
C40A C39A C44A 117.9(3) . .
C40A C39A C36A 121.8(3) . .
C44A C39A C36A 120.3(4) . .
C41A C40A C39A 121.8(4) . .
C41A C40A H40A 119.1 . .
C39A C40A H40A 119.1 . .
C40A C41A C42A 120.5(4) . .
C40A C41A H41A 119.8 . .
C42A C41A H41A 119.8 . .
C43A C42A C41A 118.3(3) . .
C43A C42A C45A 121.9(3) . .
C41A C42A C45A 119.8(3) . .
C42A C43A C44A 120.8(4) . .
C42A C43A H43A 119.6 . .
C44A C43A H43A 119.6 . .
C43A C44A C39A 120.7(4) . .
C43A C44A H44A 119.6 . .
C39A C44A H44A 119.6 . .
O5A C45A O6A 124.4(3) . .
O5A C45A C42A 117.6(3) . .
O6A C45A C42A 118.0(3) . .
C6A C5A C4A 118.4(3) . .
C6A C5A C33A 121.2(3) . .
C4A C5A C33A 120.3(3) . .
C5A C6A C1A 121.6(3) . .
C5A C6A H6A 119.2 . .
C1A C6A H6A 119.2 . .
Zn2 O2 Zn3 98.59(10) . .
Zn2 O2 Zn4 105.90(9) . .
Zn3 O2 Zn4 140.17(11) . .
C6B C1B C2B 118.7(3) . .
C6B C1B C7B 121.0(3) . .
C2B C1B C7B 120.3(3) . .
C3B C2B C1B 121.2(3) . .
C3B C2B H2B 119.4 . .
C1B C2B H2B 119.4 . .
C2B C3B C4B 119.2(3) . .
C2B C3B C20B 120.7(3) . .
C4B C3B C20B 120.1(3) . .
C3B C4B C5B 121.0(3) . .
C3B C4B H4B 119.5 . .
C5B C4B H4B 119.5 . .
C6B C5B C4B 118.0(3) . .
C6B C5B C33B 121.1(3) . .
C4B C5B C33B 120.8(3) . .
C1B C6B C5B 121.8(3) . .
C1B C6B H6B 119.1 . .
C5B C6B H6B 119.1 . .
C12B C7B C8B 118.2(3) . .
C12B C7B C1B 121.7(3) . .
C8B C7B C1B 120.1(3) . .
C9B C8B C7B 120.7(3) . .
C9B C8B H8B 119.7 . .
C7B C8B H8B 119.7 . .
C8B C9B C10B 121.3(3) . .
C8B C9B H9B 119.4 . .
C10B C9B H9B 119.4 . .
C11B C10B C9B 117.4(3) . .
C11B C10B C13B 121.7(3) . .
C9B C10B C13B 120.9(3) . .
C12B C11B C10B 121.4(3) . .
C12B C11B H11B 119.3 . .
C10B C11B H11B 119.3 . .
C11B C12B C7B 121.1(3) . .
C11B C12B H12B 119.5 . .
C7B C12B H12B 119.5 . .
C14B C13B C18B 117.9(3) . .
C14B C13B C10B 121.1(3) . .
C18B C13B C10B 121.0(3) . .
C15B C14B C13B 121.4(3) . .
C15B C14B H14B 119.3 . .
C13B C14B H14B 119.3 . .
C14B C15B C16B 120.3(3) . .
C14B C15B H15B 119.8 . .
C16B C15B H15B 119.8 . .
C17B C16B C15B 119.0(3) . .
C17B C16B C19B 121.2(3) . .
C15B C16B C19B 119.8(3) . .
C16B C17B C18B 120.7(3) . .
C16B C17B H17B 119.7 . .
C18B C17B H17B 119.7 . .
C17B C18B C13B 120.6(3) . .
C17B C18B H18B 119.7 . .
C13B C18B H18B 119.7 . .
O2B C19B O1B 125.7(3) . .
O2B C19B C16B 117.3(3) . .
O1B C19B C16B 116.9(3) . .
C19B O1B Zn2 130.0(2) . .
C19B O2B Zn3 122.8(2) . .
C25B C20B C21B 119.1(3) . .
C25B C20B C3B 123.2(3) . .
C21B C20B C3B 117.6(3) . .
C22B C21B C20B 119.7(3) . .
C22B C21B H21B 120.1 . .
C20B C21B H21B 120.1 . .
C21B C22B C23B 121.6(3) . .
C21B C22B H22B 119.2 . .
C23B C22B H22B 119.2 . .
C22B C23B C24B 117.7(3) . .
C22B C23B C26B 120.3(3) . .
C24B C23B C26B 121.9(3) . .
C25B C24B C23B 120.8(4) . .
C25B C24B H24B 119.6 . .
C23B C24B H24B 119.6 . .
C20B C25B C24B 121.0(4) . .
C20B C25B H25B 119.5 . .
C24B C25B H25B 119.5 . .
C31B C26B C27B 118.3(3) . .
C31B C26B C23B 119.7(3) . .
C27B C26B C23B 122.0(3) . .
C28B C27B C26B 120.4(3) . .
C28B C27B H27B 119.8 . .
C26B C27B H27B 119.8 . .
C29B C28B C27B 120.4(3) . .
C29B C28B H28B 119.8 . .
C27B C28B H28B 119.8 . .
C28B C29B C30B 119.4(3) . .
C28B C29B C32B 120.5(3) . .
C30B C29B C32B 120.0(3) . .
C31B C30B C29B 120.2(3) . .
C31B C30B H30B 119.9 . .
C29B C30B H30B 119.9 . .
C26B C31B C30B 121.3(3) . .
C26B C31B H31B 119.4 . .
C30B C31B H31B 119.4 . .
O4B C32B O3B 125.1(3) . .
O4B C32B C29B 117.5(3) . .
O3B C32B C29B 117.4(3) . .
C32B O3B Zn1 119.0(2) . 6_645
C32B O4B Zn4 145.6(2) . 4_734
C34B C33B C38B 117.6(3) . .
C34B C33B C5B 122.6(3) . .
C38B C33B C5B 119.9(3) . .
C33B C34B C35B 121.4(3) . .
C33B C34B H34B 119.3 . .
C35B C34B H34B 119.3 . .
C36B C35B C34B 121.4(4) . .
C36B C35B H35B 119.3 . .
C34B C35B H35B 119.3 . .
C35B C36B C37B 117.5(3) . .
C35B C36B C39B 122.2(3) . .
C37B C36B C39B 120.3(3) . .
C38B C37B C36B 121.6(4) . .
C38B C37B H37B 119.2 . .
C36B C37B H37B 119.2 . .
C37B C38B C33B 120.5(4) . .
C37B C38B H38B 119.7 . .
C33B C38B H38B 119.7 . .
C40B C39B C44B 118.6(3) . .
C40B C39B C36B 122.7(3) . .
C44B C39B C36B 118.6(3) . .
C39B C40B C41B 121.4(3) . .
C39B C40B H40B 119.3 . .
C41B C40B H40B 119.3 . .
C42B C41B C40B 119.6(3) . .
C42B C41B H41B 120.2 . .
C40B C41B H41B 120.2 . .
C41B C42B C43B 119.7(3) . .
C41B C42B C45B 121.7(3) . .
C43B C42B C45B 118.6(3) . .
C42B C43B C44B 120.7(3) . .
C42B C43B H43B 119.6 . .
C44B C43B H43B 119.6 . .
C43B C44B C39B 119.9(4) . .
C43B C44B H44B 120.1 . .
C39B C44B H44B 120.1 . .
O5B C45B O6B 126.6(3) . .
O5B C45B C42B 118.4(3) . .
O6B C45B C42B 115.0(3) . .
C45B O5B Zn3 138.5(2) . 8_544
C45B O6B Zn1 131.1(2) . 8_544
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O6B 1.919(2) 8_545
Zn1 O1 1.919(2) .
Zn1 O3B 1.944(2) 6_545
Zn1 O2A 1.976(2) .
Zn2 O6A 1.934(2) 2_764
Zn2 O1B 1.954(2) .
Zn2 O3A 1.956(2) 4_764
Zn2 O2 1.973(2) .
Zn2 Zn3 2.9983(6) .
Zn3 O5B 1.922(2) 8_545
Zn3 O2B 1.949(2) .
Zn3 O2 1.982(2) .
Zn3 O4A 2.022(2) 4_764
Zn4 O1 2.018(2) 7_754
Zn4 O1A 2.068(2) .
Zn4 O5A 2.071(3) 2_764
Zn4 O2 2.123(2) .
Zn4 O4B 2.137(2) 4_764
Zn4 O1 2.147(2) .
Zn4 Zn4 3.1096(9) 7_754
O1 Zn4 2.018(2) 7_754
C1A C6A 1.395(5) .
C1A C2A 1.399(5) .
C1A C7A 1.481(5) .
C2A C3A 1.381(5) .
C2A H2A 0.9500 .
C3A C4A 1.400(5) .
C3A C20A 1.501(4) .
C4A C5A 1.389(5) .
C4A H4A 0.9500 .
O5A C45A 1.245(4) .
O5A Zn4 2.071(3) 2_744
O6A C45A 1.273(4) .
O6A Zn2 1.934(2) 2_744
C7A C8A 1.396(5) .
C7A C12A 1.402(5) .
C8A C9A 1.395(5) .
C8A H8A 0.9500 .
C9A C10A 1.390(5) .
C9A H9A 0.9500 .
C10A C11A 1.402(5) .
C10A C13A 1.487(5) .
C11A C12A 1.383(5) .
C11A H11A 0.9500 .
C12A H12A 0.9500 .
C13A C18A 1.392(5) .
C13A C14A 1.394(5) .
C14A C15A 1.389(5) .
C14A H14A 0.9500 .
C15A C16A 1.390(5) .
C15A H15A 0.9500 .
C16A C17A 1.390(4) .
C16A C19A 1.486(4) .
C17A C18A 1.387(5) .
C17A H17A 0.9500 .
C18A H18A 0.9500 .
C19A O1A 1.257(4) .
C19A O2A 1.271(4) .
C20A C25A 1.382(5) .
C20A C21A 1.395(5) .
C21A C22A 1.405(5) .
C21A H21A 0.9500 .
C22A C23A 1.377(5) .
C22A H22A 0.9500 .
C23A C24A 1.405(5) .
C23A C26A 1.494(5) .
C24A C25A 1.390(5) .
C24A H24A 0.9500 .
C25A H25A 0.9500 .
C26A C27A 1.387(5) .
C26A C31A 1.396(5) .
C27A C28A 1.392(5) .
C27A H27A 0.9500 .
C28A C29A 1.399(5) .
C28A H28A 0.9500 .
C29A C30A 1.380(5) .
C29A C32A 1.501(5) .
C30A C31A 1.375(5) .
C30A H30A 0.9500 .
C31A H31A 0.9500 .
C32A O4A 1.254(4) .
C32A O3A 1.267(4) .
O3A Zn2 1.956(2) 4_734
O4A Zn3 2.022(2) 4_734
C33A C34A 1.348(6) .
C33A C38A 1.359(5) .
C33A C5A 1.504(5) .
C34A C35A 1.385(6) .
C34A H34A 0.9500 .
C35A C36A 1.374(6) .
C35A H35A 0.9500 .
C36A C37A 1.332(6) .
C36A C39A 1.502(5) .
C37A C38A 1.398(5) .
C37A H37A 0.9500 .
C38A H38A 0.9500 .
C39A C40A 1.373(6) .
C39A C44A 1.390(6) .
C40A C41A 1.373(5) .
C40A H40A 0.9500 .
C41A C42A 1.390(5) .
C41A H41A 0.9500 .
C42A C43A 1.380(5) .
C42A C45A 1.497(5) .
C43A C44A 1.385(5) .
C43A H43A 0.9500 .
C44A H44A 0.9500 .
C5A C6A 1.380(5) .
C6A H6A 0.9500 .
C1B C6B 1.385(4) .
C1B C2B 1.390(4) .
C1B C7B 1.493(5) .
C2B C3B 1.384(5) .
C2B H2B 0.9500 .
C3B C4B 1.390(5) .
C3B C20B 1.491(4) .
C4B C5B 1.399(5) .
C4B H4B 0.9500 .
C5B C6B 1.393(5) .
C5B C33B 1.486(4) .
C6B H6B 0.9500 .
C7B C12B 1.384(5) .
C7B C8B 1.395(5) .
C8B C9B 1.375(5) .
C8B H8B 0.9500 .
C9B C10B 1.398(5) .
C9B H9B 0.9500 .
C10B C11B 1.390(5) .
C10B C13B 1.483(5) .
C11B C12B 1.375(5) .
C11B H11B 0.9500 .
C12B H12B 0.9500 .
C13B C14B 1.396(5) .
C13B C18B 1.396(5) .
C14B C15B 1.368(5) .
C14B H14B 0.9500 .
C15B C16B 1.393(5) .
C15B H15B 0.9500 .
C16B C17B 1.381(5) .
C16B C19B 1.491(5) .
C17B C18B 1.384(5) .
C17B H17B 0.9500 .
C18B H18B 0.9500 .
C19B O2B 1.249(4) .
C19B O1B 1.266(4) .
C20B C25B 1.375(5) .
C20B C21B 1.394(5) .
C21B C22B 1.377(4) .
C21B H21B 0.9500 .
C22B C23B 1.391(5) .
C22B H22B 0.9500 .
C23B C24B 1.392(5) .
C23B C26B 1.487(4) .
C24B C25B 1.378(5) .
C24B H24B 0.9500 .
C25B H25B 0.9500 .
C26B C31B 1.379(5) .
C26B C27B 1.400(5) .
C27B C28B 1.386(5) .
C27B H27B 0.9500 .
C28B C29B 1.378(5) .
C28B H28B 0.9500 .
C29B C30B 1.385(5) .
C29B C32B 1.490(4) .
C30B C31B 1.380(5) .
C30B H30B 0.9500 .
C31B H31B 0.9500 .
C32B O4B 1.242(4) .
C32B O3B 1.265(4) .
O3B Zn1 1.944(2) 6_645
O4B Zn4 2.137(2) 4_734
C33B C34B 1.378(5) .
C33B C38B 1.404(5) .
C34B C35B 1.386(5) .
C34B H34B 0.9500 .
C35B C36B 1.378(5) .
C35B H35B 0.9500 .
C36B C37B 1.390(5) .
C36B C39B 1.488(4) .
C37B C38B 1.381(5) .
C37B H37B 0.9500 .
C38B H38B 0.9500 .
C39B C40B 1.377(5) .
C39B C44B 1.405(5) .
C40B C41B 1.393(5) .
C40B H40B 0.9500 .
C41B C42B 1.382(5) .
C41B H41B 0.9500 .
C42B C43B 1.385(5) .
C42B C45B 1.487(5) .
C43B C44B 1.387(5) .
C43B H43B 0.9500 .
C44B H44B 0.9500 .
C45B O5B 1.253(4) .
C45B O6B 1.263(4) .
O5B Zn3 1.922(2) 8_544
O6B Zn1 1.919(2) 8_544
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
O6A Zn2 Zn3 O5B -56.5(4) 2_764 8_545
O1B Zn2 Zn3 O5B -165.1(3) . 8_545
O3A Zn2 Zn3 O5B 77.6(3) 4_764 8_545
O2 Zn2 Zn3 O5B -39.6(3) . 8_545
O6A Zn2 Zn3 O2B 124.7(3) 2_764 .
O1B Zn2 Zn3 O2B 16.08(10) . .
O3A Zn2 Zn3 O2B -101.23(10) 4_764 .
O2 Zn2 Zn3 O2B 141.65(11) . .
O6A Zn2 Zn3 O2 -16.9(3) 2_764 .
O1B Zn2 Zn3 O2 -125.57(12) . .
O3A Zn2 Zn3 O2 117.12(12) 4_764 .
O6A Zn2 Zn3 O4A -128.1(3) 2_764 4_764
O1B Zn2 Zn3 O4A 123.28(11) . 4_764
O3A Zn2 Zn3 O4A 5.97(11) 4_764 4_764
O2 Zn2 Zn3 O4A -111.15(12) . 4_764
O6B Zn1 O1 Zn4 -120.05(12) 8_545 7_754
O3B Zn1 O1 Zn4 10.44(16) 6_545 7_754
O2A Zn1 O1 Zn4 122.60(12) . 7_754
O6B Zn1 O1 Zn4 134.38(10) 8_545 .
O3B Zn1 O1 Zn4 -95.14(12) 6_545 .
O2A Zn1 O1 Zn4 17.03(12) . .
O1 Zn4 O1 Zn1 121.06(12) 7_754 .
O1A Zn4 O1 Zn1 24.71(10) . .
O5A Zn4 O1 Zn1 -43(5) 2_764 .
O2 Zn4 O1 Zn1 -72.73(10) . .
O4B Zn4 O1 Zn1 -148.53(10) 4_764 .
Zn4 Zn4 O1 Zn1 121.06(12) 7_754 .
O1 Zn4 O1 Zn4 0.0 7_754 7_754
O1A Zn4 O1 Zn4 -96.35(9) . 7_754
O5A Zn4 O1 Zn4 -164(5) 2_764 7_754
O2 Zn4 O1 Zn4 166.21(9) . 7_754
O4B Zn4 O1 Zn4 90.41(9) 4_764 7_754
C6A C1A C2A C3A -1.4(5) . .
C7A C1A C2A C3A 177.0(3) . .
C1A C2A C3A C4A -0.5(5) . .
C1A C2A C3A C20A -178.1(3) . .
C2A C3A C4A C5A 1.3(5) . .
C20A C3A C4A C5A 178.9(3) . .
C6A C1A C7A C8A -34.5(5) . .
C2A C1A C7A C8A 147.3(4) . .
C6A C1A C7A C12A 142.8(4) . .
C2A C1A C7A C12A -35.5(5) . .
C12A C7A C8A C9A 1.0(5) . .
C1A C7A C8A C9A 178.3(3) . .
C7A C8A C9A C10A 0.2(6) . .
C8A C9A C10A C11A -0.9(6) . .
C8A C9A C10A C13A 175.2(3) . .
C9A C10A C11A C12A 0.5(5) . .
C13A C10A C11A C12A -175.7(3) . .
C10A C11A C12A C7A 0.7(5) . .
C8A C7A C12A C11A -1.4(5) . .
C1A C7A C12A C11A -178.7(3) . .
C9A C10A C13A C18A -140.7(4) . .
C11A C10A C13A C18A 35.4(5) . .
C9A C10A C13A C14A 37.0(5) . .
C11A C10A C13A C14A -146.9(4) . .
C18A C13A C14A C15A 0.9(6) . .
C10A C13A C14A C15A -176.8(4) . .
C13A C14A C15A C16A -1.0(6) . .
C14A C15A C16A C17A 1.0(6) . .
C14A C15A C16A C19A 179.8(4) . .
C15A C16A C17A C18A -0.9(5) . .
C19A C16A C17A C18A -179.8(3) . .
C16A C17A C18A C13A 0.8(5) . .
C14A C13A C18A C17A -0.8(6) . .
C10A C13A C18A C17A 177.0(3) . .
C15A C16A C19A O1A 12.1(5) . .
C17A C16A C19A O1A -169.1(3) . .
C15A C16A C19A O2A -168.9(3) . .
C17A C16A C19A O2A 9.9(5) . .
O2A C19A O1A Zn4 31.1(5) . .
C16A C19A O1A Zn4 -149.9(2) . .
O1 Zn4 O1A C19A -150.9(3) 7_754 .
O5A Zn4 O1A C19A 112.0(3) 2_764 .
O2 Zn4 O1A C19A 17.7(3) . .
O4B Zn4 O1A C19A 71.1(6) 4_764 .
O1 Zn4 O1A C19A -66.9(3) . .
Zn4 Zn4 O1A C19A -107.2(3) 7_754 .
O1A C19A O2A Zn1 37.7(4) . .
C16A C19A O2A Zn1 -141.2(3) . .
O6B Zn1 O2A C19A 172.3(2) 8_545 .
O1 Zn1 O2A C19A -63.3(2) . .
O3B Zn1 O2A C19A 59.6(2) 6_545 .
C2A C3A C20A C25A -151.4(3) . .
C4A C3A C20A C25A 31.1(5) . .
C2A C3A C20A C21A 32.3(5) . .
C4A C3A C20A C21A -145.3(3) . .
C25A C20A C21A C22A -2.9(5) . .
C3A C20A C21A C22A 173.6(3) . .
C20A C21A C22A C23A 0.4(5) . .
C21A C22A C23A C24A 2.2(5) . .
C21A C22A C23A C26A -176.9(3) . .
C22A C23A C24A C25A -2.3(5) . .
C26A C23A C24A C25A 176.8(3) . .
C21A C20A C25A C24A 2.7(5) . .
C3A C20A C25A C24A -173.7(3) . .
C23A C24A C25A C20A -0.2(5) . .
C22A C23A C26A C27A -26.6(5) . .
C24A C23A C26A C27A 154.3(3) . .
C22A C23A C26A C31A 151.9(4) . .
C24A C23A C26A C31A -27.2(5) . .
C31A C26A C27A C28A 1.6(5) . .
C23A C26A C27A C28A -179.8(3) . .
C26A C27A C28A C29A -1.2(5) . .
C27A C28A C29A C30A -0.1(5) . .
C27A C28A C29A C32A 179.3(3) . .
C28A C29A C30A C31A 0.9(6) . .
C32A C29A C30A C31A -178.5(3) . .
C29A C30A C31A C26A -0.4(6) . .
C27A C26A C31A C30A -0.8(6) . .
C23A C26A C31A C30A -179.4(3) . .
C30A C29A C32A O4A -2.0(5) . .
C28A C29A C32A O4A 178.6(3) . .
C30A C29A C32A O3A 175.1(3) . .
C28A C29A C32A O3A -4.2(5) . .
O4A C32A O3A Zn2 19.3(5) . 4_734
C29A C32A O3A Zn2 -157.6(2) . 4_734
O3A C32A O4A Zn3 -10.7(6) . 4_734
C29A C32A O4A Zn3 166.1(2) . 4_734
C38A C33A C34A C35A -8.5(9) . .
C5A C33A C34A C35A 173.4(6) . .
C33A C34A C35A C36A 1.0(11) . .
C34A C35A C36A C37A 7.4(9) . .
C34A C35A C36A C39A -175.8(6) . .
C35A C36A C37A C38A -8.1(9) . .
C39A C36A C37A C38A 175.2(5) . .
C34A C33A C38A C37A 7.9(8) . .
C5A C33A C38A C37A -174.0(5) . .
C36A C37A C38A C33A 0.4(9) . .
C37A C36A C39A C40A 148.4(5) . .
C35A C36A C39A C40A -28.1(7) . .
C37A C36A C39A C44A -31.3(7) . .
C35A C36A C39A C44A 152.2(5) . .
C44A C39A C40A C41A -1.8(7) . .
C36A C39A C40A C41A 178.4(4) . .
C39A C40A C41A C42A 0.1(8) . .
C40A C41A C42A C43A 2.2(7) . .
C40A C41A C42A C45A -176.9(4) . .
C41A C42A C43A C44A -2.8(7) . .
C45A C42A C43A C44A 176.3(4) . .
C42A C43A C44A C39A 1.1(8) . .
C40A C39A C44A C43A 1.2(7) . .
C36A C39A C44A C43A -179.0(4) . .
Zn4 O5A C45A O6A 47.6(7) 2_744 .
Zn4 O5A C45A C42A -135.8(3) 2_744 .
Zn2 O6A C45A O5A 3.6(5) 2_744 .
Zn2 O6A C45A C42A -172.9(3) 2_744 .
C43A C42A C45A O5A -168.1(4) . .
C41A C42A C45A O5A 10.9(6) . .
C43A C42A C45A O6A 8.6(6) . .
C41A C42A C45A O6A -172.3(4) . .
C3A C4A C5A C6A -0.2(6) . .
C3A C4A C5A C33A -176.1(3) . .
C34A C33A C5A C6A 169.6(5) . .
C38A C33A C5A C6A -8.4(6) . .
C34A C33A C5A C4A -14.6(7) . .
C38A C33A C5A C4A 167.4(4) . .
C4A C5A C6A C1A -1.7(6) . .
C33A C5A C6A C1A 174.2(4) . .
C2A C1A C6A C5A 2.5(6) . .
C7A C1A C6A C5A -175.8(4) . .
O6A Zn2 O2 Zn3 173.81(9) 2_764 .
O1B Zn2 O2 Zn3 53.00(10) . .
O3A Zn2 O2 Zn3 -64.42(11) 4_764 .
O6A Zn2 O2 Zn4 25.54(14) 2_764 .
O1B Zn2 O2 Zn4 -95.28(10) . .
O3A Zn2 O2 Zn4 147.30(10) 4_764 .
Zn3 Zn2 O2 Zn4 -148.28(14) . .
O5B Zn3 O2 Zn2 167.33(9) 8_545 .
O2B Zn3 O2 Zn2 -41.33(12) . .
O4A Zn3 O2 Zn2 64.50(11) 4_764 .
O5B Zn3 O2 Zn4 -64.8(2) 8_545 .
O2B Zn3 O2 Zn4 86.5(2) . .
O4A Zn3 O2 Zn4 -167.65(19) 4_764 .
Zn2 Zn3 O2 Zn4 127.9(2) . .
O1 Zn4 O2 Zn2 -130.4(2) 7_754 .
O1A Zn4 O2 Zn2 87.49(11) . .
O5A Zn4 O2 Zn2 2.44(12) 2_764 .
O4B Zn4 O2 Zn2 -84.17(11) 4_764 .
O1 Zn4 O2 Zn2 -178.15(10) . .
Zn4 Zn4 O2 Zn2 -167.61(5) 7_754 .
O1 Zn4 O2 Zn3 103.9(3) 7_754 .
O1A Zn4 O2 Zn3 -38.2(2) . .
O5A Zn4 O2 Zn3 -123.29(19) 2_764 .
O4B Zn4 O2 Zn3 150.1(2) 4_764 .
O1 Zn4 O2 Zn3 56.12(18) . .
Zn4 Zn4 O2 Zn3 66.7(2) 7_754 .
C6B C1B C2B C3B 1.3(5) . .
C7B C1B C2B C3B -177.1(3) . .
C1B C2B C3B C4B 1.8(5) . .
C1B C2B C3B C20B -174.8(3) . .
C2B C3B C4B C5B -3.8(5) . .
C20B C3B C4B C5B 172.8(3) . .
C3B C4B C5B C6B 2.6(5) . .
C3B C4B C5B C33B -175.9(3) . .
C2B C1B C6B C5B -2.5(5) . .
C7B C1B C6B C5B 175.9(3) . .
C4B C5B C6B C1B 0.6(5) . .
C33B C5B C6B C1B 179.1(3) . .
C6B C1B C7B C12B 143.5(3) . .
C2B C1B C7B C12B -38.2(5) . .
C6B C1B C7B C8B -37.4(5) . .
C2B C1B C7B C8B 140.9(3) . .
C12B C7B C8B C9B 1.4(5) . .
C1B C7B C8B C9B -177.8(3) . .
C7B C8B C9B C10B 0.2(6) . .
C8B C9B C10B C11B -1.9(5) . .
C8B C9B C10B C13B 177.2(3) . .
C9B C10B C11B C12B 2.2(5) . .
C13B C10B C11B C12B -176.9(3) . .
C10B C11B C12B C7B -0.7(5) . .
C8B C7B C12B C11B -1.1(5) . .
C1B C7B C12B C11B 178.0(3) . .
C11B C10B C13B C14B -151.6(4) . .
C9B C10B C13B C14B 29.4(5) . .
C11B C10B C13B C18B 29.9(5) . .
C9B C10B C13B C18B -149.2(3) . .
C18B C13B C14B C15B 0.4(6) . .
C10B C13B C14B C15B -178.2(3) . .
C13B C14B C15B C16B -0.6(6) . .
C14B C15B C16B C17B 0.4(5) . .
C14B C15B C16B C19B -178.7(3) . .
C15B C16B C17B C18B -0.1(5) . .
C19B C16B C17B C18B 179.1(3) . .
C16B C17B C18B C13B -0.1(5) . .
C14B C13B C18B C17B -0.1(5) . .
C10B C13B C18B C17B 178.5(3) . .
C17B C16B C19B O2B -3.7(5) . .
C15B C16B C19B O2B 175.5(3) . .
C17B C16B C19B O1B 174.4(3) . .
C15B C16B C19B O1B -6.5(5) . .
O2B C19B O1B Zn2 7.3(5) . .
C16B C19B O1B Zn2 -170.5(2) . .
O6A Zn2 O1B C19B -179.0(3) 2_764 .
O3A Zn2 O1B C19B 57.5(3) 4_764 .
O2 Zn2 O1B C19B -50.2(3) . .
Zn3 Zn2 O1B C19B -17.5(3) . .
O1B C19B O2B Zn3 18.6(5) . .
C16B C19B O2B Zn3 -163.5(2) . .
O5B Zn3 O2B C19B 158.3(2) 8_545 .
O2 Zn3 O2B C19B 3.7(3) . .
O4A Zn3 O2B C19B -94.2(3) 4_764 .
Zn2 Zn3 O2B C19B -22.1(2) . .
C2B C3B C20B C25B -122.2(4) . .
C4B C3B C20B C25B 61.3(5) . .
C2B C3B C20B C21B 61.4(4) . .
C4B C3B C20B C21B -115.2(4) . .
C25B C20B C21B C22B -2.9(5) . .
C3B C20B C21B C22B 173.7(3) . .
C20B C21B C22B C23B 1.1(5) . .
C21B C22B C23B C24B 2.0(5) . .
C21B C22B C23B C26B -176.1(3) . .
C22B C23B C24B C25B -3.4(6) . .
C26B C23B C24B C25B 174.7(4) . .
C21B C20B C25B C24B 1.6(6) . .
C3B C20B C25B C24B -174.8(4) . .
C23B C24B C25B C20B 1.6(7) . .
C22B C23B C26B C31B 37.8(5) . .
C24B C23B C26B C31B -140.2(4) . .
C22B C23B C26B C27B -144.5(4) . .
C24B C23B C26B C27B 37.5(6) . .
C31B C26B C27B C28B 1.4(6) . .
C23B C26B C27B C28B -176.4(4) . .
C26B C27B C28B C29B 0.5(7) . .
C27B C28B C29B C30B -2.0(6) . .
C27B C28B C29B C32B 174.6(4) . .
C28B C29B C30B C31B 1.5(6) . .
C32B C29B C30B C31B -175.1(3) . .
C27B C26B C31B C30B -1.9(6) . .
C23B C26B C31B C30B 175.9(3) . .
C29B C30B C31B C26B 0.5(6) . .
C28B C29B C32B O4B -158.5(4) . .
C30B C29B C32B O4B 18.0(5) . .
C28B C29B C32B O3B 19.7(5) . .
C30B C29B C32B O3B -163.7(3) . .
O4B C32B O3B Zn1 19.4(5) . 6_645
C29B C32B O3B Zn1 -158.7(2) . 6_645
O3B C32B O4B Zn4 -0.7(7) . 4_734
C29B C32B O4B Zn4 177.4(3) . 4_734
C6B C5B C33B C34B -152.2(4) . .
C4B C5B C33B C34B 26.3(6) . .
C6B C5B C33B C38B 28.7(5) . .
C4B C5B C33B C38B -152.8(4) . .
C38B C33B C34B C35B -1.0(6) . .
C5B C33B C34B C35B 179.9(4) . .
C33B C34B C35B C36B -0.7(7) . .
C34B C35B C36B C37B 1.8(6) . .
C34B C35B C36B C39B -179.0(4) . .
C35B C36B C37B C38B -1.1(6) . .
C39B C36B C37B C38B 179.7(4) . .
C36B C37B C38B C33B -0.6(7) . .
C34B C33B C38B C37B 1.7(6) . .
C5B C33B C38B C37B -179.3(4) . .
C35B C36B C39B C40B -36.2(6) . .
C37B C36B C39B C40B 143.0(4) . .
C35B C36B C39B C44B 146.6(4) . .
C37B C36B C39B C44B -34.2(6) . .
C44B C39B C40B C41B -0.4(6) . .
C36B C39B C40B C41B -177.6(4) . .
C39B C40B C41B C42B -2.0(6) . .
C40B C41B C42B C43B 2.4(6) . .
C40B C41B C42B C45B -177.2(3) . .
C41B C42B C43B C44B -0.3(6) . .
C45B C42B C43B C44B 179.3(4) . .
C42B C43B C44B C39B -2.2(7) . .
C40B C39B C44B C43B 2.5(6) . .
C36B C39B C44B C43B 179.8(4) . .
C41B C42B C45B O5B -18.6(5) . .
C43B C42B C45B O5B 161.9(3) . .
C41B C42B C45B O6B 162.0(3) . .
C43B C42B C45B O6B -17.5(5) . .
O6B C45B O5B Zn3 3.8(6) . 8_544
C42B C45B O5B Zn3 -175.5(2) . 8_544
O5B C45B O6B Zn1 3.0(5) . 8_544
C42B C45B O6B Zn1 -177.6(2) . 8_544
