#------------------------------------------------------------------------------
#$Date: 2019-11-17 14:40:25 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230562 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/68/7056850.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_7056850
loop_
_publ_author_name
'Joshi, Pooja'
'Hussain, Navid'
'Ali, Shah Raj'
'Rishu, Rishu'
'Bhardwaj, Vimal K.'
_publ_section_title
;
 Enhanced activity of trinuclear Zn(ii) complexes towards phosphate ester
 bond cleavage by introducing three-metal cooperativity
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2204
_journal_paper_doi               10.1039/C7NJ03759G
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety
'C54 H54 N14 O22 Zn3, 0.5(H2 O2), 2(C3 H7 N O)'
_chemical_formula_sum            'C60 H71 N16 O25 Zn3'
_chemical_formula_weight         1612.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-07-14
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-12-01 deposited with the CCDC.
2017-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 116.285(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.6376(11)
_cell_length_b                   13.3432(5)
_cell_length_c                   22.2182(9)
_cell_measurement_temperature    296.15
_cell_volume                     6548.9(5)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            112184
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         2.25
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.187
_exptl_absorpt_correction_T_max  0.700
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; (sheldrick, 2003)'
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3332
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         8175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0382
_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)+(0.0483P)²+8.8891P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.1027
_reflns_number_gt                6481
_reflns_number_total             8175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7nj03759g2.cif
_cod_data_source_block           vk2nw
_cod_depositor_comments
'Adding full bibliography for 7056849--7056851.cif.'
_cod_original_cell_volume        6548.8(5)
_cod_database_code               7056850
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups, All O(H,H,H,H) groups
2. Others
 Sof(Zn0A)=Sof(H4AA)=Sof(H4AB)=0.5*(1-FVAR(2))
 Sof(Zn1)=Sof(H4BC)=Sof(H4BD)=0.5*FVAR(2)
 Fixed Sof: H13(0.5)
3.a Riding coordinates:
 O4(H4AA,H4AB), O4(H4BC,H4BD)
3.b Free rotating group:
 O13(H13)
3.c Rotating group:
 O5(H5A,H5B)
3.d Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C8(H8A,H8B), C20(H20A,H20B), C11(H11A,H11B), C19(H19A,H19B),
 C10(H10A,H10B)
3.e Aromatic/amide H refined with riding coordinates:
 C12(H12), C23(H23), C26(H26), C14(H14), C16(H16), C5(H5), C25(H25), C3(H3),
 C2(H2), C17(H17), C21(H21), C7(H7), C28(H28)
3.f Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C29(H29A,H29B,H29C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 '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_calc_flag
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Zn0A Zn 0.5000 0.536(3) 0.2500 0.044(2) Uani 0.145(17) d 3 2 S T P
Zn1 Zn 0.5000 0.4984(3) 0.2500 0.0215(5) Uani 0.855(17) d 4 2 S T P
Zn2 Zn 0.624653(11) 0.955310(19) 0.315940(12) 0.01954(8) Uani 1 d . 1 . . .
O5 O 0.55292(7) 0.89976(13) 0.22554(8) 0.0278(4) Uani 1 d . 1 . . .
H5A H 0.5652 0.8896 0.1949 0.042 Uiso 1 d . 1 GR . .
H5B H 0.5234 0.9428 0.2100 0.042 Uiso 1 d . 1 GR . .
O13 O 0.5000 0.18554(19) 0.2500 0.0333(6) Uani 1 d . 2 S T P
H13 H 0.5295 0.1455 0.2596 0.050 Uiso 0.50 d . 1 G . .
O4 O 0.53630(10) 0.36685(15) 0.31819(10) 0.0463(5) Uani 1 d . 1 . . .
H4AA H 0.5371 0.3182 0.2939 0.069 Uiso 0.073(9) d 3 1 R . .
H4AB H 0.5128 0.3526 0.3357 0.069 Uiso 0.073(9) d 3 1 R . .
H4BC H 0.5387 0.3166 0.2960 0.069 Uiso 0.427(9) d 4 1 R . .
H4BD H 0.5128 0.3531 0.3358 0.069 Uiso 0.427(9) d 4 1 R . .
O1 O 0.42431(8) 0.50542(15) 0.26417(9) 0.0338(4) Uani 1 d . 1 . . .
O3 O 0.55545(7) 0.98820(13) 0.34226(8) 0.0239(3) Uani 1 d . 1 . . .
O2 O 0.62080(8) 1.10071(12) 0.28541(8) 0.0264(4) Uani 1 d . 1 . . .
O10 O 0.60252(10) 1.15179(18) 0.62502(9) 0.0505(6) Uani 1 d . 1 . . .
O8 O 0.65680(9) 1.19815(16) 0.03248(9) 0.0413(5) Uani 1 d . 1 . . .
O6 O 0.34083(12) 0.56019(17) 0.48746(12) 0.0554(6) Uani 1 d . 1 . . .
O9 O 0.61951(11) 1.33726(15) 0.04520(10) 0.0453(5) Uani 1 d . 1 . . .
O11 O 0.50714(10) 1.17736(16) 0.56908(10) 0.0453(5) Uani 1 d . 1 . . .
O7 O 0.43235(11) 0.61675(19) 0.53947(11) 0.0560(6) Uani 1 d . 1 . . .
N6 N 0.68060(8) 0.95877(14) 0.41883(9) 0.0215(4) Uani 1 d . 1 . . .
N2 N 0.54489(9) 0.58341(15) 0.34020(10) 0.0239(4) Uani 1 d . 1 . . .
N1 N 0.65259(8) 0.78769(14) 0.34338(9) 0.0218(4) Uani 1 d . 1 . . .
N5 N 0.63866(9) 1.25304(16) 0.06426(10) 0.0277(4) Uani 1 d . 1 . . .
N4 N 0.68516(8) 0.92902(15) 0.27240(9) 0.0233(4) Uani 1 d . 1 . . .
N3 N 0.38998(13) 0.58341(18) 0.48882(13) 0.0417(6) Uani 1 d . 1 . . .
N7 N 0.55583(11) 1.15014(17) 0.57202(11) 0.0337(5) Uani 1 d . 1 . . .
C1 C 0.41702(11) 0.53187(17) 0.31537(12) 0.0250(5) Uani 1 d . 1 . . .
C22 C 0.61305(10) 1.03614(17) 0.45796(11) 0.0214(4) Uani 1 d . 1 . . .
C12 C 0.68857(10) 0.98417(18) 0.22703(11) 0.0229(5) Uani 1 d . 1 . . .
H12 H 0.7099 0.9582 0.2050 0.028 Uiso 1 calc . 1 R . .
C23 C 0.61141(11) 1.07652(18) 0.51493(11) 0.0255(5) Uani 1 d . 1 . . .
H23 H 0.6467 1.0788 0.5550 0.031 Uiso 1 calc . 1 R . .
C26 C 0.50526(11) 1.0690(2) 0.39685(12) 0.0320(6) Uani 1 d . 1 . . .
H26 H 0.4693 1.0669 0.3575 0.038 Uiso 1 calc . 1 R . .
C14 C 0.66544(10) 1.12377(18) 0.15029(11) 0.0232(5) Uani 1 d . 1 . . .
H14 H 0.6846 1.0884 0.1290 0.028 Uiso 1 calc . 1 R . .
C24 C 0.55808(11) 1.11323(18) 0.51270(12) 0.0261(5) Uani 1 d . 1 . . .
C9 C 0.59835(10) 0.73570(18) 0.33915(12) 0.0265(5) Uani 1 d . 1 . . .
H9A H 0.5672 0.7400 0.2932 0.032 Uiso 1 calc . 1 R . .
H9B H 0.5836 0.7715 0.3670 0.032 Uiso 1 calc . 1 R . .
C8 C 0.60628(11) 0.62488(18) 0.36027(12) 0.0269(5) Uani 1 d . 1 . . .
H8A H 0.6265 0.5888 0.3381 0.032 Uiso 1 calc . 1 R . .
H8B H 0.6304 0.6190 0.4084 0.032 Uiso 1 calc . 1 R . .
C16 C 0.61471(11) 1.27403(18) 0.15925(12) 0.0267(5) Uani 1 d . 1 . . .
H16 H 0.5994 1.3375 0.1434 0.032 Uiso 1 calc . 1 R . .
C20 C 0.73127(10) 0.89023(18) 0.43513(12) 0.0254(5) Uani 1 d . 1 . . .
H20A H 0.7576 0.8905 0.4830 0.031 Uiso 1 calc . 1 R . .
H20B H 0.7548 0.9092 0.4116 0.031 Uiso 1 calc . 1 R . .
C5 C 0.45401(12) 0.58752(18) 0.43177(12) 0.0291(5) Uani 1 d . 1 . . .
H5 H 0.4852 0.6106 0.4715 0.035 Uiso 1 calc . 1 R . .
C6 C 0.46463(11) 0.56994(17) 0.37626(12) 0.0252(5) Uani 1 d . 1 . . .
C25 C 0.50469(11) 1.1093(2) 0.45297(13) 0.0326(6) Uani 1 d . 1 . . .
H25 H 0.4688 1.1341 0.4515 0.039 Uiso 1 calc . 1 R . .
C3 C 0.34925(12) 0.54087(19) 0.36861(14) 0.0326(6) Uani 1 d . 1 . . .
H3 H 0.3109 0.5329 0.3663 0.039 Uiso 1 calc . 1 R . .
C15 C 0.64014(10) 1.21632(17) 0.12590(11) 0.0228(5) Uani 1 d . 1 . . .
C2 C 0.35840(12) 0.52304(19) 0.31346(13) 0.0296(5) Uani 1 d . 1 . . .
H2 H 0.3257 0.5046 0.2735 0.036 Uiso 1 calc . 1 R . .
C4 C 0.39725(13) 0.57091(18) 0.42828(13) 0.0314(6) Uani 1 d . 1 . . .
C18 C 0.63212(10) 1.13760(17) 0.23846(11) 0.0223(5) Uani 1 d . 1 . . .
C13 C 0.66254(9) 1.08292(18) 0.20660(11) 0.0209(4) Uani 1 d . 1 . . .
C11 C 0.71277(11) 0.82927(19) 0.28316(13) 0.0289(5) Uani 1 d . 1 . . .
H11A H 0.7516 0.8301 0.3226 0.035 Uiso 1 calc . 1 R . .
H11B H 0.7196 0.8107 0.2449 0.035 Uiso 1 calc . 1 R . .
C19 C 0.70271(10) 0.78667(18) 0.41225(11) 0.0241(5) Uani 1 d . 1 . . .
H19A H 0.7336 0.7402 0.4139 0.029 Uiso 1 calc . 1 R . .
H19B H 0.6875 0.7628 0.4431 0.029 Uiso 1 calc . 1 R . .
C27 C 0.55856(10) 1.03026(17) 0.39617(11) 0.0223(5) Uani 1 d . 1 . . .
C17 C 0.61250(11) 1.23687(18) 0.21505(12) 0.0271(5) Uani 1 d . 1 . . .
H17 H 0.5978 1.2773 0.2387 0.032 Uiso 1 calc . 1 R . .
C21 C 0.66928(10) 0.98950(17) 0.46659(11) 0.0222(4) Uani 1 d . 1 . . .
H21 H 0.6994 0.9814 0.5102 0.027 Uiso 1 calc . 1 R . .
C7 C 0.52480(11) 0.59442(18) 0.38394(12) 0.0265(5) Uani 1 d . 1 . . .
H7 H 0.5516 0.6210 0.4251 0.032 Uiso 1 calc . 1 R . .
C10 C 0.67125(11) 0.75291(18) 0.29252(12) 0.0270(5) Uani 1 d . 1 . . .
H10A H 0.6357 0.7427 0.2502 0.032 Uiso 1 calc . 1 R . .
H10B H 0.6922 0.6893 0.3064 0.032 Uiso 1 calc . 1 R . .
O12 O 0.26390(9) 0.54510(16) 0.63432(10) 0.0420(5) Uani 1 d . 1 . . .
N8 N 0.28714(10) 0.69686(17) 0.60515(11) 0.0322(5) Uani 1 d . 1 . . .
C28 C 0.29411(12) 0.5990(2) 0.61580(13) 0.0335(6) Uani 1 d . 1 . . .
H28 H 0.3246 0.5682 0.6086 0.040 Uiso 1 calc . 1 R . .
C30 C 0.24322(14) 0.7523(3) 0.61839(16) 0.0472(7) Uani 1 d . 1 . . .
H30A H 0.2211 0.7070 0.6329 0.071 Uiso 1 calc . 1 GR . .
H30B H 0.2157 0.7858 0.5782 0.071 Uiso 1 calc . 1 GR . .
H30C H 0.2637 0.8010 0.6529 0.071 Uiso 1 calc . 1 GR . .
C29 C 0.32456(14) 0.7534(2) 0.58152(14) 0.0396(6) Uani 1 d . 1 . . .
H29A H 0.3498 0.7992 0.6159 0.059 Uiso 1 calc . 1 GR . .
H29B H 0.2990 0.7903 0.5419 0.059 Uiso 1 calc . 1 GR . .
H29C H 0.3495 0.7081 0.5712 0.059 Uiso 1 calc . 1 GR . .
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Zn0A O1 157.5(19) . 2_655
N2 Zn0A O1 94.73(15) . 2_655
N2 Zn0A O1 92.71(15) . .
N2 Zn0A O1 94.73(15) 2_655 .
N2 Zn0A O1 92.71(15) 2_655 2_655
N2 Zn0A N2 141(2) . 2_655
O4 Zn1 O4 76.23(16) 2_655 .
O1 Zn1 O4 91.28(11) 2_655 .
O1 Zn1 O4 92.90(12) 2_655 2_655
O1 Zn1 O4 92.90(12) . .
O1 Zn1 O4 91.28(12) . 2_655
O1 Zn1 O1 174.7(2) . 2_655
O1 Zn1 N2 89.51(10) 2_655 .
O1 Zn1 N2 87.67(9) 2_655 2_655
O1 Zn1 N2 89.51(10) . 2_655
O1 Zn1 N2 87.67(9) . .
N2 Zn1 O4 160.11(17) . 2_655
N2 Zn1 O4 83.99(8) 2_655 2_655
N2 Zn1 O4 160.11(17) 2_655 .
N2 Zn1 O4 83.99(8) . .
N2 Zn1 N2 115.8(2) . 2_655
O5 Zn2 N1 86.49(7) . .
O3 Zn2 O5 84.13(6) . .
O3 Zn2 N6 85.02(7) . .
O3 Zn2 N1 108.16(7) . .
O3 Zn2 N4 170.40(7) . .
O2 Zn2 O5 96.88(7) . .
O2 Zn2 O3 88.26(7) . .
O2 Zn2 N6 104.72(7) . .
O2 Zn2 N1 163.52(7) . .
O2 Zn2 N4 86.83(7) . .
N6 Zn2 O5 155.46(7) . .
N6 Zn2 N1 76.11(7) . .
N6 Zn2 N4 104.21(7) . .
N4 Zn2 O5 88.27(7) . .
N4 Zn2 N1 77.12(7) . .
Zn1 O1 Zn0A 13.9(8) . .
C1 O1 Zn0A 125.1(5) . .
C1 O1 Zn1 130.78(17) . .
C27 O3 Zn2 129.20(14) . .
C18 O2 Zn2 129.45(15) . .
C20 N6 Zn2 109.66(14) . .
C21 N6 Zn2 129.54(16) . .
C21 N6 C20 118.21(19) . .
Zn0A N2 Zn1 12.7(9) . .
C8 N2 Zn0A 118.6(3) . .
C8 N2 Zn1 121.07(15) . .
C7 N2 Zn0A 126.4(2) . .
C7 N2 Zn1 124.04(17) . .
C7 N2 C8 114.5(2) . .
C9 N1 Zn2 106.26(13) . .
C9 N1 C19 112.33(18) . .
C19 N1 Zn2 107.01(14) . .
C10 N1 Zn2 104.92(13) . .
C10 N1 C9 112.72(19) . .
C10 N1 C19 112.92(18) . .
O8 N5 C15 118.7(2) . .
O9 N5 O8 122.1(2) . .
O9 N5 C15 119.1(2) . .
C12 N4 Zn2 124.38(16) . .
C12 N4 C11 117.56(19) . .
C11 N4 Zn2 116.25(14) . .
O6 N3 C4 118.2(3) . .
O7 N3 O6 122.5(2) . .
O7 N3 C4 119.3(2) . .
O10 N7 C24 119.1(2) . .
O11 N7 O10 121.6(2) . .
O11 N7 C24 119.2(2) . .
O1 C1 C6 124.0(2) . .
O1 C1 C2 119.3(2) . .
C2 C1 C6 116.7(2) . .
C23 C22 C27 119.9(2) . .
C23 C22 C21 117.1(2) . .
C27 C22 C21 122.4(2) . .
N4 C12 C13 126.5(2) . .
C24 C23 C22 120.9(2) . .
C25 C26 C27 122.6(2) . .
C15 C14 C13 120.5(2) . .
C23 C24 N7 120.8(2) . .
C23 C24 C25 120.1(2) . .
C25 C24 N7 119.0(2) . .
N1 C9 C8 116.43(19) . .
N2 C8 C9 107.01(19) . .
C17 C16 C15 119.5(2) . .
N6 C20 C19 105.47(18) . .
C4 C5 C6 120.4(2) . .
C1 C6 C7 123.8(2) . .
C5 C6 C1 120.0(2) . .
C5 C6 C7 116.2(2) . .
C26 C25 C24 119.8(2) . .
C2 C3 C4 120.0(2) . .
C14 C15 N5 119.6(2) . .
C14 C15 C16 121.1(2) . .
C16 C15 N5 119.3(2) . .
C3 C2 C1 121.8(2) . .
C5 C4 N3 118.0(3) . .
C5 C4 C3 120.8(2) . .
C3 C4 N3 121.2(2) . .
O2 C18 C13 123.4(2) . .
O2 C18 C17 119.3(2) . .
C17 C18 C13 117.3(2) . .
C14 C13 C12 116.4(2) . .
C14 C13 C18 119.2(2) . .
C18 C13 C12 124.3(2) . .
N4 C11 C10 109.80(18) . .
N1 C19 C20 112.64(18) . .
O3 C27 C22 123.8(2) . .
O3 C27 C26 119.5(2) . .
C26 C27 C22 116.6(2) . .
C16 C17 C18 121.8(2) . .
N6 C21 C22 125.0(2) . .
N2 C7 C6 127.1(2) . .
N1 C10 C11 110.6(2) . .
C28 N8 C30 121.2(2) . .
C28 N8 C29 121.5(2) . .
C30 N8 C29 117.3(2) . .
O12 C28 N8 125.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn0A O1 2.064(7) .
Zn0A O1 2.064(7) 2_655
Zn0A N2 1.919(12) .
Zn0A N2 1.919(12) 2_655
Zn1 O4 2.231(4) 2_655
Zn1 O4 2.231(4) .
Zn1 O1 2.0264(17) 2_655
Zn1 O1 2.0263(17) .
Zn1 N2 2.136(3) 2_655
Zn1 N2 2.136(3) .
Zn2 O5 2.1362(16) .
Zn2 O3 2.0796(15) .
Zn2 O2 2.0435(16) .
Zn2 N6 2.0826(18) .
Zn2 N1 2.3400(19) .
Zn2 N4 2.1349(18) .
O1 C1 1.277(3) .
O3 C27 1.294(3) .
O2 C18 1.291(3) .
O10 N7 1.229(3) .
O8 N5 1.231(3) .
O6 N3 1.237(3) .
O9 N5 1.220(3) .
O11 N7 1.227(3) .
O7 N3 1.230(3) .
N6 C20 1.458(3) .
N6 C21 1.278(3) .
N2 C8 1.482(3) .
N2 C7 1.280(3) .
N1 C9 1.471(3) .
N1 C19 1.481(3) .
N1 C10 1.471(3) .
N5 C15 1.440(3) .
N4 C12 1.281(3) .
N4 C11 1.466(3) .
N3 C4 1.443(3) .
N7 C24 1.431(3) .
C1 C6 1.435(3) .
C1 C2 1.431(3) .
C22 C23 1.393(3) .
C22 C27 1.436(3) .
C22 C21 1.452(3) .
C12 C13 1.448(3) .
C23 C24 1.382(3) .
C26 C25 1.364(3) .
C26 C27 1.418(3) .
C14 C15 1.381(3) .
C14 C13 1.395(3) .
C24 C25 1.396(3) .
C9 C8 1.537(3) .
C16 C15 1.395(3) .
C16 C17 1.359(3) .
C20 C19 1.532(3) .
C5 C6 1.389(3) .
C5 C4 1.384(4) .
C6 C7 1.452(3) .
C3 C2 1.361(4) .
C3 C4 1.389(4) .
C18 C13 1.437(3) .
C18 C17 1.427(3) .
C11 C10 1.522(3) .
O12 C28 1.229(3) .
N8 C28 1.325(3) .
N8 C30 1.445(3) .
N8 C29 1.458(3) .
