#------------------------------------------------------------------------------
#$Date: 2020-01-03 21:45:30 +0200 (Fri, 03 Jan 2020) $
#$Revision: 246474 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/72/4517298.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_4517298
loop_
_publ_author_name
'Wu, Yun-Long'
'Yang, Guo-Ping'
'Cheng, Shan'
'Qian, Jinjie'
'Fan, Daidi'
'Wang, Yao-Yu'
_publ_section_title
;
 Facile Incorporation of Au Nanoparticles into an Unusual Twofold
 Entangled Zn(II)-MOF with Nanocages for Highly Efficient CO₂
 Fixation under Mild Conditions.
;
_journal_issue                   50
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              47437
_journal_page_last               47445
_journal_paper_doi               10.1021/acsami.9b17348
_journal_volume                  11
_journal_year                    2019
_chemical_formula_moiety         'C126 H60 N6 O55 Zn14'
_chemical_formula_sum            'C126 H60 N6 O55 Zn14'
_chemical_formula_weight         3453.26
_space_group_crystal_system      trigonal
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2016-11-09
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   34.4562(7)
_cell_length_b                   34.4562(7)
_cell_length_c                   38.7960(5)
_cell_measurement_reflns_used    5140
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.19
_cell_measurement_theta_min      2.50
_cell_volume                     39888.9(13)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_unetI/netI     0.0601
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            65184
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.712
_diffrn_reflns_theta_max         24.712
_diffrn_reflns_theta_min         0.861
_exptl_absorpt_coefficient_mu    1.928
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_description       block
_exptl_crystal_F_000             15460
_refine_diff_density_max         1.822
_refine_diff_density_min         -2.733
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.301
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         7963
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.300
_refine_ls_R_factor_all          0.1321
_refine_ls_R_factor_gt           0.0986
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3135
_refine_ls_wR_factor_ref         0.3435
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5318
_reflns_number_total             7963
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            am9b17348_si_002.cif
_cod_data_source_block           1
_cod_original_cell_volume        39888.9(17)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4517298
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Restrained distances
 O17-Zn7
 2 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O17) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C40, C34, C33, C38, N2, C39, C27, C25, C26, C29, C24
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O17, Zn7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: H14(0.5) C36(0.5) H36(0.5) O15(0.5) O16(0.5) O17(0.25) H17A(0.25)
 H17B(0.25) N2(0.5) C38(0.5) Zn6(0.25) Zn7(0.25) O19(0.5) O18(0.5)
6.a Riding coordinates:
 O13(H13), O14(H14), C36(H36), C35(H35), O17(H17A,H17B)
6.b Aromatic/amide H refined with riding coordinates:
 C32(H32), C17(H17), C19(H19), C20(H20), C25(H25), C14(H14A), C7(H7), C5(H5),
 C4(H4), C15(H15), C16(H16), C28(H28), C24(H24), C37(H37)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'x, x-y, z'
'-x+y, y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn4 Zn 0.50002(2) 0.49998(2) 0.58397(4) 0.0357(4) Uani 1 2 d S T P . .
Zn1 Zn 0.27376(8) 0.13688(4) 0.32253(6) 0.0769(7) Uani 1 2 d S T P . .
Zn3 Zn 0.43790(4) 0.47082(4) 0.65317(3) 0.0396(4) Uani 1 1 d . . . . .
Zn2 Zn 0.18818(2) 0.37635(5) 0.44424(3) 0.0313(4) Uani 1 2 d S T P . .
Zn5 Zn 0.14679(2) 0.29357(5) 0.48898(3) 0.0291(4) Uani 1 2 d S T P . .
O3 O 0.2102(2) 0.3377(3) 0.42100(17) 0.0503(18) Uani 1 1 d . . . . .
O6 O 0.49920(12) 0.50080(12) 0.6351(2) 0.0311(19) Uani 1 2 d S T P . .
O12 O 0.1802(2) 0.2775(2) 0.45407(19) 0.0542(19) Uani 1 1 d . . . . .
O13 O 0.12021(17) 0.2404(3) 0.5172(3) 0.079(4) Uani 1 2 d S T P . .
H13 H 0.0981 0.2325 0.5329 0.118 Uiso 1 1 d R . . . .
O4 O 0.2382(2) 0.3929(2) 0.47910(17) 0.0454(17) Uani 1 1 d . . . . .
O1 O 0.3351(3) 0.2496(3) 0.3486(2) 0.071(2) Uani 1 1 d . . . . .
O11 O 0.2075(2) 0.3320(3) 0.51203(17) 0.056(2) Uani 1 1 d . . . . .
O14 O 0.21500(18) 0.4300(4) 0.4154(3) 0.082(4) Uani 1 2 d S T P . .
H14 H 0.1984 0.4401 0.3983 0.123 Uiso 0.5 1 d R . . . .
O7 O 0.4393(2) 0.4693(2) 0.56595(16) 0.0451(17) Uani 1 1 d . . . . .
O5 O 0.3979(2) 0.4511(3) 0.61444(18) 0.066(2) Uani 1 1 d . . . . .
O2 O 0.2695(3) 0.1915(3) 0.3335(3) 0.100(4) Uani 1 1 d . . . . .
O10 O 0.4250(3) 0.5104(3) 0.6786(3) 0.094(3) Uani 1 1 d . . . . .
O9 O 0.2174(3) 0.4349(5) 0.9478(4) 0.109(5) Uani 1 2 d S T P . .
O8 O 0.1975(2) 0.3950(4) 0.8983(4) 0.078(4) Uani 1 2 d S T P . .
N1 N 0.2999(2) 0.3571(3) 0.45359(17) 0.0343(17) Uani 1 1 d . . . . .
C21 C 0.4026(3) 0.4514(3) 0.5816(2) 0.036(2) Uani 1 1 d . . . . .
C3 C 0.2289(3) 0.2819(3) 0.4103(3) 0.045(2) Uani 1 1 d . . . . .
C18 C 0.3606(3) 0.4273(3) 0.5610(2) 0.032(2) Uani 1 1 d . . . . .
C32 C 0.3849(5) 0.5459(5) 0.7198(5) 0.118(6) Uani 1 1 d . . . . .
H32 H 0.3662 0.5186 0.7090 0.141 Uiso 1 1 calc R . . . .
C11 C 0.2818(3) 0.3864(3) 0.5225(2) 0.039(2) Uani 1 1 d . . . . .
C8 C 0.2929(4) 0.2271(4) 0.3491(3) 0.058(3) Uani 1 1 d . . . . .
C12 C 0.3239(3) 0.4021(3) 0.5058(2) 0.033(2) Uani 1 1 d . . . . .
C33 C 0.3674(5) 0.5628(5) 0.7449(4) 0.104(5) Uani 1 1 d . U . . .
C17 C 0.3619(3) 0.4227(3) 0.5255(2) 0.034(2) Uani 1 1 d . . . . .
H17 H 0.3896 0.4341 0.5147 0.041 Uiso 1 1 calc R . . . .
C30 C 0.4494(3) 0.5506(3) 0.6873(5) 0.075(6) Uani 1 2 d S T P . .
C19 C 0.3178(3) 0.4079(3) 0.5775(2) 0.045(2) Uani 1 1 d . . . . .
H19 H 0.3159 0.4093 0.6013 0.053 Uiso 1 1 calc R . . . .
C34 C 0.3903(4) 0.6097(4) 0.7526(5) 0.088(6) Uani 1 2 d S TU P A .
C10 C 0.2391(3) 0.3684(4) 0.5026(3) 0.042(2) Uani 1 1 d . . . . .
C31 C 0.4302(3) 0.5698(3) 0.7112(5) 0.069(5) Uani 1 2 d S T P . .
C29 C 0.2958(3) 0.5917(6) 0.8368(6) 0.072(5) Uani 1 2 d S TU P . .
C26 C 0.2736(4) 0.5472(7) 0.8569(6) 0.098(7) Uani 1 2 d S TU P A .
C27 C 0.2543(3) 0.5086(7) 0.8396(6) 0.108(7) Uani 1 2 d S TU P . .
C20 C 0.2811(3) 0.3880(3) 0.5585(2) 0.046(3) Uani 1 1 d . . . . .
H20 H 0.2535 0.3744 0.5696 0.055 Uiso 1 1 calc R . . . .
C25 C 0.2736(4) 0.5471(8) 0.8904(7) 0.119(8) Uani 1 2 d S TU P . .
H25 H 0.2873 0.5745 0.9019 0.143 Uiso 1 2 calc RS T P A .
C13 C 0.3265(3) 0.3974(3) 0.4679(2) 0.036(2) Uani 1 1 d . . . . .
C14 C 0.3581(4) 0.4347(4) 0.4484(3) 0.055(3) Uani 1 1 d . . . . .
H14A H 0.3761 0.4622 0.4591 0.066 Uiso 1 1 calc R . . . .
C9 C 0.2046(3) 0.2998(3) 0.4299(3) 0.036(2) Uani 1 1 d . . . . .
C1 C 0.3040(3) 0.3527(3) 0.4202(2) 0.036(2) Uani 1 1 d . . . . .
C2 C 0.2746(3) 0.3068(4) 0.4049(2) 0.044(2) Uani 1 1 d . . . . .
C7 C 0.2953(3) 0.2890(4) 0.3840(2) 0.049(3) Uani 1 1 d . . . . .
H7 H 0.3260 0.3056 0.3798 0.059 Uiso 1 1 calc R . . . .
C6 C 0.2705(4) 0.2473(4) 0.3698(3) 0.054(3) Uani 1 1 d . . . . .
C5 C 0.2242(4) 0.2224(4) 0.3764(3) 0.066(3) Uani 1 1 d . . . . .
H5 H 0.2071 0.1940 0.3670 0.079 Uiso 1 1 calc R . . . .
C4 C 0.2049(3) 0.2396(4) 0.3960(3) 0.055(3) Uani 1 1 d . . . . .
H4 H 0.1743 0.2226 0.4002 0.066 Uiso 1 1 calc R . . . .
C15 C 0.3619(4) 0.4297(4) 0.4140(3) 0.060(3) Uani 1 1 d . . . . .
H15 H 0.3823 0.4535 0.4005 0.072 Uiso 1 1 calc R . . . .
C16 C 0.3339(4) 0.3872(4) 0.3995(3) 0.056(3) Uani 1 1 d . . . . .
H16 H 0.3355 0.3825 0.3760 0.067 Uiso 1 1 calc R . . . .
C28 C 0.2333(4) 0.4666(8) 0.8578(8) 0.123(9) Uani 1 2 d S T P A .
H28 H 0.2195 0.4390 0.8467 0.148 Uiso 1 2 calc RS T P . .
C22 C 0.2135(3) 0.4269(7) 0.9149(5) 0.060(4) Uani 1 2 d S T P A .
C24 C 0.2547(4) 0.5094(8) 0.9094(7) 0.115(7) Uani 1 2 d S TU P A .
H24 H 0.2554 0.5108 0.9333 0.138 Uiso 1 2 calc RS T P . .
C23 C 0.2356(3) 0.4712(7) 0.8936(5) 0.070(5) Uani 1 2 d S T P . .
C36 C 0.2868(11) 0.4997(13) 0.7337(9) 0.142(17) Uani 0.5 1 d . . . . .
H36 H 0.2925 0.4950 0.7111 0.171 Uiso 0.5 1 d R . . . .
C35 C 0.2363(4) 0.4726(8) 0.7453(7) 0.120(9) Uani 1 2 d S T P A .
H35 H 0.2210 0.4421 0.7360 0.143 Uiso 1 2 d RS T P . .
C37 C 0.2369(4) 0.4738(8) 0.7785(7) 0.107(8) Uani 1 2 d S T P . .
H37 H 0.2228 0.4456 0.7887 0.129 Uiso 1 2 calc RS T P A .
O15 O 0.2736(6) 0.5958(6) 0.8131(5) 0.070(5) Uani 0.5 1 d . . . A -1
O16 O 0.3323(6) 0.6240(6) 0.8525(4) 0.095(6) Uani 0.5 1 d . . . A -1
O17 O 0.4228(10) 0.704(2) 0.8608(9) 0.110(15) Uani 0.25 1 d D U . A -1
H17A H 0.4211 0.7035 0.8826 0.165 Uiso 0.25 1 d R . . A -1
H17B H 0.4498 0.7137 0.8548 0.165 Uiso 0.25 1 d R . . A -1
N2 N 0.3115(9) 0.5355(8) 0.7887(7) 0.102(7) Uani 0.5 1 d . U . . .
C38 C 0.3197(10) 0.5310(10) 0.7559(8) 0.092(7) Uani 0.5 1 d . U . A .
C39 C 0.2525(4) 0.5051(8) 0.7996(7) 0.131(7) Uani 1 2 d S TU P A .
Zn6 Zn 0.29335(16) 0.64667(8) 0.77829(11) 0.0632(10) Uani 0.5 2 d S T P . .
Zn7 Zn 0.37117(15) 0.68559(7) 0.82844(12) 0.0630(10) Uani 0.5 2 d DS TU P A .
C40 C 0.3712(5) 0.6288(5) 0.7687(8) 0.117(9) Uani 1 2 d S TU P . .
O19 O 0.3960(7) 0.6552(7) 0.7961(7) 0.113(9) Uani 0.5 1 d . . . A -1
O18 O 0.3304(6) 0.6215(8) 0.7543(6) 0.119(8) Uani 0.5 1 d . . . A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2840 1.4300 '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
Zn3 Zn4 Zn1 57.86(5) . 8
Zn3 Zn4 Zn1 57.86(5) 22_665 8
Zn3 Zn4 Zn3 57.63(5) 22_665 .
O6 Zn4 Zn1 33.9(2) . 8
O6 Zn4 Zn3 33.92(11) . 22_665
O6 Zn4 Zn3 33.92(11) . .
O7 Zn4 Zn1 123.5(2) 22_665 8
O7 Zn4 Zn1 123.5(2) . 8
O7 Zn4 Zn3 76.5(2) 22_665 22_665
O7 Zn4 Zn3 123.2(2) . 22_665
O7 Zn4 Zn3 76.5(2) . .
O7 Zn4 Zn3 123.2(2) 22_665 .
O7 Zn4 O6 110.4(2) . .
O7 Zn4 O6 110.4(2) 22_665 .
O7 Zn4 O7 108.3(4) 22_665 .
O7 Zn4 O8 107.1(3) . 15_554
O7 Zn4 O8 107.1(3) 22_665 15_554
O8 Zn4 Zn1 79.4(5) 15_554 8
O8 Zn4 Zn3 125.9(4) 15_554 22_665
O8 Zn4 Zn3 125.9(4) 15_554 .
O8 Zn4 O6 113.3(5) 15_554 .
Zn3 Zn1 Zn4 60.38(5) 15_554 15_554
Zn3 Zn1 Zn4 60.38(5) 36_544 15_554
Zn3 Zn1 Zn3 59.32(6) 15_554 36_544
O6 Zn1 Zn4 33.7(2) 15_554 15_554
O6 Zn1 Zn3 36.11(13) 15_554 15_554
O6 Zn1 Zn3 36.11(13) 15_554 36_544
O6 Zn1 O2 98.2(3) 15_554 .
O6 Zn1 O2 98.2(3) 15_554 23
O6 Zn1 O9 104.2(6) 15_554 8_554
O2 Zn1 Zn4 102.3(3) 23 15_554
O2 Zn1 Zn4 102.3(3) . 15_554
O2 Zn1 Zn3 123.0(3) . 36_544
O2 Zn1 Zn3 123.0(3) 23 15_554
O2 Zn1 Zn3 65.1(3) 23 36_544
O2 Zn1 Zn3 65.1(3) . 15_554
O2 Zn1 O2 154.5(7) . 23
O2 Zn1 O9 97.4(3) 23 8_554
O2 Zn1 O9 97.4(3) . 8_554
O9 Zn1 Zn4 70.5(5) 8_554 15_554
O9 Zn1 Zn3 120.5(4) 8_554 36_544
O9 Zn1 Zn3 120.5(4) 8_554 15_554
Zn1 Zn3 Zn4 61.76(5) 8 .
Zn3 Zn3 Zn4 61.19(2) 22_665 .
Zn3 Zn3 Zn1 60.34(3) 22_665 8
O6 Zn3 Zn4 34.4(2) . .
O6 Zn3 Zn1 36.9(2) . 8
O6 Zn3 Zn3 36.59(19) . 22_665
O1 Zn3 Zn4 130.3(3) 8 .
O1 Zn3 Zn1 83.3(3) 8 8
O1 Zn3 Zn3 130.8(3) 8 22_665
O1 Zn3 O6 120.1(3) 8 .
O1 Zn3 O5 104.9(4) 8 .
O5 Zn3 Zn4 73.1(2) . .
O5 Zn3 Zn1 124.4(2) . 8
O5 Zn3 Zn3 122.4(2) . 22_665
O5 Zn3 O6 107.5(3) . .
O10 Zn3 Zn4 123.9(3) . .
O10 Zn3 Zn1 125.3(3) . 8
O10 Zn3 Zn3 76.1(3) . 22_665
O10 Zn3 O6 112.6(3) . .
O10 Zn3 O1 104.7(4) . 8
O10 Zn3 O5 105.9(4) . .
O3 Zn2 Zn5 78.0(2) . .
O3 Zn2 Zn5 78.0(2) 24 .
O3 Zn2 O3 88.5(4) . 24
O4 Zn2 Zn5 79.4(2) 24 .
O4 Zn2 Zn5 79.4(2) . .
O4 Zn2 O3 157.4(3) 24 .
O4 Zn2 O3 86.3(3) . .
O4 Zn2 O3 157.4(3) . 24
O4 Zn2 O3 86.4(3) 24 24
O4 Zn2 O4 90.0(3) . 24
O14 Zn2 Zn5 179.9(5) . .
O14 Zn2 O3 102.1(3) . 24
O14 Zn2 O3 102.1(3) . .
O14 Zn2 O4 100.5(3) . .
O14 Zn2 O4 100.5(3) . 24
O12 Zn5 Zn2 79.0(2) 24 .
O12 Zn5 Zn2 79.0(2) . .
O12 Zn5 O12 89.7(4) . 24
O12 Zn5 O11 86.1(3) 24 24
O12 Zn5 O11 157.0(3) . 24
O12 Zn5 O11 86.1(3) . .
O12 Zn5 O11 157.0(3) 24 .
O13 Zn5 Zn2 179.5(3) . .
O13 Zn5 O12 100.6(3) . .
O13 Zn5 O12 100.6(3) . 24
O13 Zn5 O11 102.3(3) . 24
O13 Zn5 O11 102.3(3) . .
O11 Zn5 Zn2 78.0(2) 24 .
O11 Zn5 Zn2 78.0(2) . .
O11 Zn5 O11 89.1(5) . 24
C9 O3 Zn2 129.4(6) . .
Zn4 O6 Zn1 112.4(4) . 8
Zn3 O6 Zn4 111.6(3) . .
Zn3 O6 Zn4 111.6(3) 22_665 .
Zn3 O6 Zn1 107.0(3) 22_665 8
Zn3 O6 Zn1 107.0(3) . 8
Zn3 O6 Zn3 106.8(4) . 22_665
C9 O12 Zn5 129.6(7) . .
Zn5 O13 H13 126.7 . .
C10 O4 Zn2 126.8(7) . .
C8 O1 Zn3 118.0(7) . 15_554
C10 O11 Zn5 128.8(7) . .
Zn2 O14 H14 127.0 . .
C21 O7 Zn4 129.9(6) . .
C21 O5 Zn3 135.1(6) . .
C8 O2 Zn1 136.0(9) . .
C30 O10 Zn3 131.3(8) . .
C22 O9 Zn1 131.6(14) . 15
C22 O8 Zn4 124.0(13) . 8
C1 N1 C13 117.9(8) . .
O7 C21 O5 125.2(8) . .
O7 C21 C18 118.3(8) . .
O5 C21 C18 116.4(8) . .
C2 C3 C9 121.9(9) . .
C2 C3 C4 119.2(9) . .
C4 C3 C9 118.8(8) . .
C17 C18 C21 121.1(8) . .
C17 C18 C19 118.4(8) . .
C19 C18 C21 120.4(8) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C31 C32 C33 120.2(14) . .
C12 C11 C10 121.8(8) . .
C20 C11 C12 118.1(8) . .
C20 C11 C10 120.0(8) . .
O1 C8 C6 115.3(10) . .
O2 C8 O1 125.3(10) . .
O2 C8 C6 119.4(11) . .
C11 C12 C13 120.8(7) . .
C17 C12 C11 118.2(8) . .
C17 C12 C13 120.9(8) . .
C32 C33 C34 120.1(14) . .
C32 C33 C38 115.4(16) . .
C34 C33 C38 123.1(16) . .
C18 C17 H17 118.9 . .
C12 C17 C18 122.3(8) . .
C12 C17 H17 118.9 . .
O10 C30 O10 125.0(13) . 22_665
O10 C30 C31 117.4(7) 22_665 .
O10 C30 C31 117.4(7) . .
C18 C19 H19 120.4 . .
C20 C19 C18 119.1(8) . .
C20 C19 H19 120.4 . .
C33 C34 C33 114.3(18) . 22_665
C33 C34 Zn6 122.8(9) . 2_665
C33 C34 Zn6 122.8(9) 22_665 2_665
C40 C34 C33 122.6(9) . .
C40 C34 C33 122.6(9) . 22_665
C40 C34 Zn6 4.5(16) . 2_665
O4 C10 C11 116.6(9) . .
O11 C10 O4 126.2(9) . .
O11 C10 C11 117.0(9) . .
C32 C31 C32 117.9(16) 22_665 .
C32 C31 C30 120.4(8) . .
C32 C31 C30 120.4(8) 22_665 .
O15 C29 C26 117.2(15) . .
O15 C29 O16 127.9(19) . .
O16 C29 C26 113.0(17) . .
Zn7 C29 C26 166(2) 3_565 .
Zn7 C29 O15 72.5(14) 3_565 .
Zn7 C29 O16 55.6(10) 3_565 .
C27 C26 C29 119(2) . .
C25 C26 C29 121(2) . .
C25 C26 C27 120(2) . .
C26 C27 C28 120(2) . .
C26 C27 C39 124(2) . .
C28 C27 C39 116(2) . .
C11 C20 H20 118.4 . .
C19 C20 C11 123.3(9) . .
C19 C20 H20 118.4 . .
C26 C25 H25 118.4 . .
C26 C25 C24 123(3) . .
C24 C25 H25 118.4 . .
N1 C13 C12 118.2(8) . .
N1 C13 C14 122.4(8) . .
C14 C13 C12 119.3(8) . .
C13 C14 H14A 120.5 . .
C15 C14 C13 119.1(10) . .
C15 C14 H14A 120.5 . .
O3 C9 C3 117.5(9) . .
O12 C9 O3 123.7(8) . .
O12 C9 C3 118.7(10) . .
N1 C1 C2 117.0(8) . .
N1 C1 C16 123.4(8) . .
C16 C1 C2 119.6(8) . .
C3 C2 C1 123.3(8) . .
C3 C2 C7 119.2(9) . .
C7 C2 C1 117.5(8) . .
C2 C7 H7 120.0 . .
C6 C7 C2 120.0(9) . .
C6 C7 H7 120.0 . .
C7 C6 C8 120.2(10) . .
C7 C6 C5 119.5(9) . .
C5 C6 C8 120.2(10) . .
C6 C5 H5 120.0 . .
C4 C5 C6 120.1(10) . .
C4 C5 H5 120.0 . .
C3 C4 H4 119.0 . .
C5 C4 C3 122.0(10) . .
C5 C4 H4 119.0 . .
C14 C15 H15 121.1 . .
C14 C15 C16 117.8(10) . .
C16 C15 H15 121.1 . .
C1 C16 C15 119.4(9) . .
C1 C16 H16 120.3 . .
C15 C16 H16 120.3 . .
C27 C28 H28 123.1 . .
C23 C28 C27 114(2) . .
C23 C28 H28 123.1 . .
O9 C22 C23 111.6(18) . .
O8 C22 O9 134.6(18) . .
O8 C22 C23 113.8(16) . .
C25 C24 H24 120.6 . .
C23 C24 C25 119(2) . .
C23 C24 H24 120.6 . .
C28 C23 C22 116.5(19) . .
C24 C23 C28 124(2) . .
C24 C23 C22 119.8(19) . .
C35 C36 H36 115.5 . .
C38 C36 H36 123.7 . .
C38 C36 C35 121(3) . .
C36 C35 C36 108(4) . 24
C36 C35 H35 111.9 24 .
C36 C35 H35 111.9 . .
C37 C35 C36 105.7(19) . 24
C37 C35 C36 105.7(19) . .
C37 C35 H35 113.0 . .
C35 C37 H37 113.6 . .
C39 C37 C35 133(3) . .
C39 C37 H37 113.6 . .
C29 O15 Zn6 128.6(15) . .
C29 O16 Zn7 120.2(13) . .
H17A O17 H17B 109.4 . .
Zn7 O17 H17A 125.3 . .
Zn7 O17 H17B 125.3 . .
C38 N2 C39 113(2) . .
C36 C38 C33 123(3) . .
N2 C38 C33 114(2) . .
N2 C38 C36 123(3) . .
C27 C39 N2 101.5(15) . .
C27 C39 N2 101.5(15) . 24
C37 C39 C27 135(3) . .
C37 C39 N2 102.9(16) . 24
C37 C39 N2 102.9(16) . .
N2 C39 N2 113(2) 24 .
C34 Zn6 Zn7 164.4(6) 3_565 .
O15 Zn6 C34 90.5(7) . 3_565
O15 Zn6 Zn6 126.6(6) . 3_565
O15 Zn6 Zn6 84.5(6) . 2_665
O15 Zn6 Zn7 79.1(5) . 2_665
O15 Zn6 Zn7 78.3(6) . .
O15 Zn6 Zn7 38.2(6) . 3_565
O15 Zn6 O18 87.1(9) . .
Zn6 Zn6 C34 142.1(3) 2_665 3_565
Zn6 Zn6 C34 142.1(3) 3_565 3_565
Zn6 Zn6 Zn6 60.000(2) 2_665 3_565
Zn6 Zn6 Zn7 88.60(14) 2_665 2_665
Zn6 Zn6 Zn7 48.40(8) 3_565 .
Zn6 Zn6 Zn7 48.41(8) 2_665 .
Zn6 Zn6 Zn7 62.87(12) 2_665 3_565
Zn6 Zn6 Zn7 88.60(14) 3_565 3_565
Zn6 Zn6 Zn7 62.88(12) 3_565 2_665
Zn6 Zn6 O18 84.4(6) 3_565 .
Zn6 Zn6 O18 35.0(6) 2_665 .
Zn7 Zn6 C34 127.3(5) 3_565 3_565
Zn7 Zn6 C34 127.3(5) 2_665 3_565
Zn7 Zn6 Zn7 40.19(16) 3_565 .
Zn7 Zn6 Zn7 40.20(16) 2_665 .
Zn7 Zn6 Zn7 51.1(2) 2_665 3_565
C40 Zn6 C34 5.2(18) 3_565 3_565
C40 Zn6 O15 86.8(14) 3_565 .
C40 Zn6 Zn6 144.9(8) 3_565 2_665
C40 Zn6 Zn6 144.9(9) 3_565 3_565
C40 Zn6 Zn7 159.2(17) 3_565 .
C40 Zn6 Zn7 122.9(15) 3_565 3_565
C40 Zn6 Zn7 122.9(15) 3_565 2_665
C40 Zn6 O18 110.7(13) 3_565 .
O18 Zn6 C34 107.4(7) . 3_565
O18 Zn6 Zn7 83.2(6) . .
O18 Zn6 Zn7 123.2(6) . 2_665
O18 Zn6 Zn7 85.7(7) . 3_565
C29 Zn7 O16 114.2(10) 2_665 .
C29 Zn7 O17 23.9(17) 2_665 .
C29 Zn7 Zn6 117.8(10) 2_665 2_665
C29 Zn7 Zn6 156.3(12) 2_665 .
C29 Zn7 Zn6 117.8(10) 2_665 3_565
C29 Zn7 Zn7 146.2(5) 2_665 3_565
C29 Zn7 Zn7 146.2(5) 2_665 2_665
C29 Zn7 O19 80.0(11) 2_665 .
O16 Zn7 Zn6 124.9(5) . 3_565
O16 Zn7 Zn6 86.3(5) . 2_665
O16 Zn7 Zn6 82.0(5) . .
O17 Zn7 O16 93.5(19) . .
O17 Zn7 Zn6 140.8(17) . 3_565
O17 Zn7 Zn6 173(2) . .
O17 Zn7 Zn6 131.4(17) . 2_665
O17 Zn7 O19 90.9(18) . .
Zn6 Zn7 Zn6 43.00(17) 3_565 .
Zn6 Zn7 Zn6 42.99(17) 2_665 .
Zn6 Zn7 Zn6 54.3(2) 3_565 2_665
Zn7 Zn7 O16 82.3(5) 2_665 .
Zn7 Zn7 O16 33.7(5) 3_565 .
Zn7 Zn7 O17 136.8(15) 2_665 .
Zn7 Zn7 O17 127.2(19) 3_565 .
Zn7 Zn7 Zn6 91.40(14) 3_565 3_565
Zn7 Zn7 Zn6 64.43(11) 3_565 2_665
Zn7 Zn7 Zn6 48.40(8) 2_665 .
Zn7 Zn7 Zn6 64.44(11) 2_665 3_565
Zn7 Zn7 Zn6 91.40(14) 2_665 2_665
Zn7 Zn7 Zn6 48.40(8) 3_565 .
Zn7 Zn7 Zn7 60.000(2) 3_565 2_665
Zn7 Zn7 O19 87.3(6) 3_565 .
Zn7 Zn7 O19 131.7(8) 2_665 .
O19 Zn7 O16 88.5(9) . .
O19 Zn7 Zn6 83.6(9) . 3_565
O19 Zn7 Zn6 83.4(8) . .
O19 Zn7 Zn6 40.5(8) . 2_665
C34 C40 O19 114(2) . .
C34 C40 O18 115(2) . .
Zn6 C40 C34 170(3) 2_665 .
Zn6 C40 O19 73.5(15) 2_665 .
Zn6 C40 O18 57.5(16) 2_665 .
O19 C40 O18 131(2) . .
C40 O19 Zn7 121.5(18) . .
C40 O18 Zn6 120.6(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn4 Zn1 3.307(3) 8
Zn4 Zn3 3.2630(18) 22_665
Zn4 Zn3 3.2630(18) .
Zn4 O6 1.985(8) .
Zn4 O7 1.941(6) 22_665
Zn4 O7 1.941(6) .
Zn4 O8 1.982(11) 15_554
Zn1 Zn4 3.307(3) 15_554
Zn1 Zn3 3.178(2) 36_544
Zn1 Zn3 3.178(2) 15_554
Zn1 O6 1.995(8) 15_554
Zn1 O2 2.004(9) 23
Zn1 O2 2.004(9) .
Zn1 O9 2.035(14) 8_554
Zn3 Zn1 3.178(2) 8
Zn3 Zn3 3.145(2) 22_665
Zn3 O6 1.959(5) .
Zn3 O1 1.918(7) 8
Zn3 O5 1.919(7) .
Zn3 O10 1.907(8) .
Zn2 Zn5 3.019(2) .
Zn2 O3 2.045(7) 24
Zn2 O3 2.045(7) .
Zn2 O4 2.035(6) 24
Zn2 O4 2.035(6) .
Zn2 O14 1.954(11) .
Zn5 O12 2.027(7) 24
Zn5 O12 2.027(7) .
Zn5 O13 1.927(10) .
Zn5 O11 2.039(6) .
Zn5 O11 2.039(6) 24
O3 C9 1.266(12) .
O6 Zn1 1.994(8) 8
O6 Zn3 1.959(5) 22_665
O12 C9 1.237(12) .
O13 H13 0.9033 .
O4 C10 1.253(12) .
O1 Zn3 1.918(7) 15_554
O1 C8 1.261(13) .
O11 C10 1.237(12) .
O14 H14 1.0404 .
O7 C21 1.253(11) .
O5 C21 1.284(11) .
O2 C8 1.239(14) .
O10 C30 1.256(10) .
O9 Zn1 2.036(14) 15
O9 C22 1.30(2) .
O8 Zn4 1.982(11) 8
O8 C22 1.15(2) .
N1 C13 1.342(11) .
N1 C1 1.319(10) .
C21 C18 1.491(12) .
C3 C9 1.476(12) .
C3 C2 1.380(13) .
C3 C4 1.383(13) .
C18 C17 1.389(12) .
C18 C19 1.430(13) .
C32 H32 0.9300 .
C32 C33 1.417(19) .
C32 C31 1.392(16) .
C11 C12 1.425(12) .
C11 C10 1.492(12) .
C11 C20 1.397(12) .
C8 C6 1.504(14) .
C12 C17 1.369(11) .
C12 C13 1.488(12) .
C33 C34 1.431(17) .
C33 C38 1.51(3) .
C17 H17 0.9300 .
C30 O10 1.256(10) 22_665
C30 C31 1.47(2) .
C19 H19 0.9300 .
C19 C20 1.321(13) .
C34 C33 1.431(17) 22_665
C34 Zn6 2.420(19) 2_665
C34 C40 1.30(3) .
C31 C32 1.392(16) 22_665
C29 C26 1.54(3) .
C29 O15 1.25(2) .
C29 O16 1.34(2) .
C29 Zn7 1.155(19) 3_565
C26 C27 1.33(3) .
C26 C25 1.30(3) .
C27 C28 1.44(3) .
C27 C39 1.55(3) .
C20 H20 0.9300 .
C25 H25 0.9300 .
C25 C24 1.34(3) .
C13 C14 1.417(14) .
C14 H14A 0.9300 .
C14 C15 1.362(13) .
C1 C2 1.511(13) .
C1 C16 1.379(14) .
C2 C7 1.408(12) .
C7 H7 0.9300 .
C7 C6 1.367(14) .
C6 C5 1.404(15) .
C5 H5 0.9300 .
C5 C4 1.329(13) .
C4 H4 0.9300 .
C15 H15 0.9300 .
C15 C16 1.406(15) .
C16 H16 0.9300 .
C28 H28 0.9300 .
C28 C23 1.40(3) .
C22 C23 1.56(2) .
C24 H24 0.9300 .
C24 C23 1.29(3) .
C36 H36 0.9306 .
C36 C35 1.57(3) .
C36 C38 1.40(4) .
C35 C36 1.57(3) 24
C35 H35 0.9804 .
C35 C37 1.29(3) .
C37 H37 0.9300 .
C37 C39 1.24(3) .
O15 Zn6 2.041(19) .
O16 Zn7 2.079(15) .
O17 H17A 0.8505 .
O17 H17B 0.8508 .
O17 Zn7 2.002(19) .
N2 C38 1.33(3) .
N2 C39 1.81(3) .
C39 N2 1.81(3) 24
Zn6 C34 2.42(2) 3_565
Zn6 Zn6 2.067(8) 3_565
Zn6 Zn6 2.066(8) 2_665
Zn6 Zn7 2.266(6) 2_665
Zn6 Zn7 2.266(6) 3_565
Zn6 Zn7 3.029(7) .
Zn6 C40 1.13(2) 3_565
Zn6 O18 2.09(2) .
Zn7 C29 1.155(19) 2_665
Zn7 Zn6 2.266(6) 2_665
Zn7 Zn6 2.266(6) 3_565
Zn7 Zn7 1.956(8) 2_665
Zn7 Zn7 1.956(8) 3_565
Zn7 O19 2.07(2) .
C40 Zn6 1.13(2) 2_665
C40 O19 1.38(3) .
C40 O18 1.42(3) .
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
Zn4 O7 C21 O5 2.6(13) . .
Zn4 O7 C21 C18 -176.1(5) . .
Zn4 O8 C22 O9 0.01(2) 8 .
Zn4 O8 C22 C23 -179.991(6) 8 .
Zn1 O2 C8 O1 38(2) . .
Zn1 O2 C8 C6 -143.8(10) . .
Zn1 O9 C22 O8 0.01(2) 15 .
Zn1 O9 C22 C23 179.9(11) 15 .
Zn3 O1 C8 O2 2.8(18) 15_554 .
Zn3 O1 C8 C6 -175.2(7) 15_554 .
Zn3 O5 C21 O7 -5.2(15) . .
Zn3 O5 C21 C18 173.4(7) . .
Zn3 O10 C30 O10 4(3) . 22_665
Zn3 O10 C30 C31 -171.8(12) . .
Zn2 O3 C9 O12 6.5(13) . .
Zn2 O3 C9 C3 -173.1(6) . .
Zn2 O4 C10 O11 -10.3(13) . .
Zn2 O4 C10 C11 173.5(5) . .
Zn5 O12 C9 O3 -5.8(14) . .
Zn5 O12 C9 C3 173.7(6) . .
Zn5 O11 C10 O4 10.9(14) . .
Zn5 O11 C10 C11 -172.9(6) . .
O1 C8 C6 C7 5.7(17) . .
O1 C8 C6 C5 -170.8(11) . .
O7 C21 C18 C17 3.5(12) . .
O7 C21 C18 C19 -177.3(8) . .
O5 C21 C18 C17 -175.3(8) . .
O5 C21 C18 C19 3.9(12) . .
O2 C8 C6 C7 -172.5(12) . .
O2 C8 C6 C5 11.0(18) . .
O10 C30 C31 C32 -175.0(18) . 22_665
O10 C30 C31 C32 -8(3) . .
O10 C30 C31 C32 8(3) 22_665 22_665
O10 C30 C31 C32 175.0(18) 22_665 .
O9 C22 C23 C28 180.001(10) . .
O9 C22 C23 C24 0.000(11) . .
O8 C22 C23 C28 0.000(12) . .
O8 C22 C23 C24 179.9(16) . .
N1 C13 C14 C15 -0.1(16) . .
N1 C1 C2 C3 49.7(13) . .
N1 C1 C2 C7 -130.5(9) . .
N1 C1 C16 C15 0.2(16) . .
C21 C18 C17 C12 -177.9(8) . .
C21 C18 C19 C20 177.9(9) . .
C3 C2 C7 C6 -1.2(15) . .
C18 C19 C20 C11 -2.8(15) . .
C32 C33 C34 C33 -24(3) . 22_665
C32 C33 C34 Zn6 157.9(15) . 2_665
C32 C33 C34 C40 163(3) . .
C32 C33 C38 C36 -34(4) . .
C32 C33 C38 N2 147(2) . .
C11 C12 C17 C18 2.5(13) . .
C11 C12 C13 N1 -50.1(12) . .
C11 C12 C13 C14 132.9(10) . .
C8 C6 C5 C4 177.0(11) . .
C12 C11 C10 O4 -52.9(12) . .
C12 C11 C10 O11 130.5(10) . .
C12 C11 C20 C19 8.1(15) . .
C12 C13 C14 C15 176.8(10) . .
C33 C32 C31 C32 -18(3) . 22_665
C33 C32 C31 C30 174.9(18) . .
C33 C34 C40 O19 130(2) . .
C33 C34 C40 O19 -42(4) 22_665 .
C33 C34 C40 O18 -54(4) . .
C33 C34 C40 O18 134(2) 22_665 .
C17 C18 C19 C20 -2.8(14) . .
C17 C12 C13 N1 132.0(9) . .
C17 C12 C13 C14 -44.9(13) . .
C19 C18 C17 C12 2.8(13) . .
C34 C33 C38 C36 133(3) . .
C34 C33 C38 N2 -47(4) . .
C34 C40 O19 Zn7 -175.4(16) . .
C34 C40 O18 Zn6 176.7(15) . .
C10 C11 C12 C17 172.7(9) . .
C10 C11 C12 C13 -5.3(14) . .
C10 C11 C20 C19 -172.3(10) . .
C31 C32 C33 C34 22(3) . .
C31 C32 C33 C38 -171(2) . .
C29 C26 C27 C28 179.9(15) . .
C29 C26 C27 C39 0.000(12) . .
C29 C26 C25 C24 180.000(14) . .
C26 C29 O15 Zn6 -174.0(13) . .
C26 C29 O16 Zn7 175.0(11) . .
C26 C27 C28 C23 -0.001(10) . .
C26 C27 C39 C37 180.00(2) . .
C26 C27 C39 N2 58.2(12) . .
C26 C27 C39 N2 -58.2(12) . 24
C26 C25 C24 C23 0.00(2) . .
C27 C26 C25 C24 0.00(2) . .
C27 C28 C23 C22 -179.9(14) . .
C27 C28 C23 C24 0.001(14) . .
C20 C11 C12 C17 -7.7(13) . .
C20 C11 C12 C13 174.3(9) . .
C20 C11 C10 O4 127.5(10) . .
C20 C11 C10 O11 -49.1(13) . .
C25 C26 C27 C28 0.000(17) . .
C25 C26 C27 C39 -179.8(18) . .
C25 C24 C23 C28 0.000(14) . .
C25 C24 C23 C22 179.8(16) . .
C13 N1 C1 C2 178.5(8) . .
C13 N1 C1 C16 -0.4(13) . .
C13 C12 C17 C18 -179.6(8) . .
C13 C14 C15 C16 -0.1(17) . .
C14 C15 C16 C1 0.1(17) . .
C9 C3 C2 C1 4.1(16) . .
C9 C3 C2 C7 -175.7(10) . .
C9 C3 C4 C5 176.1(11) . .
C1 N1 C13 C12 -176.6(7) . .
C1 N1 C13 C14 0.3(13) . .
C1 C2 C7 C6 179.0(9) . .
C2 C3 C9 O3 51.9(13) . .
C2 C3 C9 O12 -127.8(11) . .
C2 C3 C4 C5 -1.8(17) . .
C2 C1 C16 C15 -178.6(10) . .
C2 C7 C6 C8 -176.7(9) . .
C2 C7 C6 C5 -0.1(17) . .
C7 C6 C5 C4 0.5(19) . .
C6 C5 C4 C3 0.5(19) . .
C4 C3 C9 O3 -126.0(10) . .
C4 C3 C9 O12 54.4(13) . .
C4 C3 C2 C1 -178.1(10) . .
C4 C3 C2 C7 2.1(15) . .
C16 C1 C2 C3 -131.5(11) . .
C16 C1 C2 C7 48.4(13) . .
C28 C27 C39 C37 0.00(3) . .
C28 C27 C39 N2 121.8(12) . 24
C28 C27 C39 N2 -121.8(12) . .
C36 C35 C37 C39 -57.2(19) 24 .
C36 C35 C37 C39 57.2(19) . .
C35 C36 C38 C33 -171(3) . .
C35 C36 C38 N2 9(6) . .
C35 C37 C39 C27 180.000(18) . .
C35 C37 C39 N2 -58.7(14) . .
C35 C37 C39 N2 58.7(13) . 24
O15 C29 C26 C27 48.9(16) . .
O15 C29 C26 C25 -131.1(16) . .
O15 C29 O16 Zn7 -21(3) . .
O16 C29 C26 C27 -145.4(13) . .
O16 C29 C26 C25 34.6(13) . .
O16 C29 O15 Zn6 23(3) . .
C38 C33 C34 C33 170.3(17) . 22_665
C38 C33 C34 Zn6 -8(3) . 2_665
C38 C33 C34 C40 -2(4) . .
C38 C36 C35 C36 91(4) . 24
C38 C36 C35 C37 -22(4) . .
C38 N2 C39 C27 169(2) . .
C38 N2 C39 C37 27(3) . .
C38 N2 C39 N2 -83(3) . 24
C39 C27 C28 C23 179.9(15) . .
C39 N2 C38 C33 169.1(19) . .
C39 N2 C38 C36 -11(4) . .
Zn6 C34 C40 O19 -136(2) 2_665 .
Zn6 C34 C40 O18 40(2) 2_665 .
Zn6 C40 O19 Zn7 12(2) 2_665 .
Zn6 C40 O18 Zn6 -10.8(16) 2_665 .
Zn7 C29 C26 C27 -180(100) 3_565 .
Zn7 C29 C26 C25 0.02(5) 3_565 .
Zn7 C29 O15 Zn6 17.2(17) 3_565 .
Zn7 C29 O16 Zn7 -14.7(10) 3_565 .
O19 C40 O18 Zn6 -8(4) . .
O18 C40 O19 Zn7 9(4) . .
