#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:45:38 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179490 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/87/4338734.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_4338734
loop_
_publ_author_name
'Sikdar, Nivedita'
'Hazra, Arpan'
'Maji, Tapas Kumar'
_publ_section_title
;
 Stoichiometry-Controlled Two Flexible Interpenetrated Frameworks: Higher
 CO2 Uptake in a Nanoscale Counterpart Supported by Accelerated Adsorption
 Kinetics.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5993
_journal_page_last               6002
_journal_paper_doi               10.1021/ic500234r
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C57 H32 N5 O13 Zn3'
_chemical_formula_weight         1190.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.0050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.1046(5)
_cell_length_b                   19.9260(7)
_cell_length_c                   25.9898(9)
_cell_measurement_reflns_used    3568
_cell_measurement_temperature    240(2)
_cell_measurement_theta_max      23.98
_cell_measurement_theta_min      2.54
_cell_volume                     7304.4(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT  A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      240(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0604
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            70418
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    1.028
_exptl_absorpt_correction_T_max  0.9409
_exptl_absorpt_correction_T_min  0.8866
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2412
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.213
_refine_diff_density_min         -0.511
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     656
_refine_ls_number_reflns         14830
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1140
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1381P)²+1.6056P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1933
_refine_ls_wR_factor_ref         0.2320
_reflns_number_gt                8762
_reflns_number_total             14830
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic500234r_si_002.cif
_cod_data_source_block           Compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338733--4338734.cif.
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4338734
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C8 C -0.1317(4) 0.1448(3) 0.51092(19) 0.0514(13) Uani 1 1 d . . .
C9 C -0.1623(5) 0.2037(3) 0.4890(2) 0.0679(18) Uani 1 1 d . . .
H9 H -0.1512 0.2448 0.5057 0.081 Uiso 1 1 calc R . .
C10 C -0.2087(5) 0.2028(3) 0.4428(2) 0.0737(19) Uani 1 1 d . . .
H10 H -0.2285 0.2437 0.4283 0.088 Uiso 1 1 calc R . .
C11 C -0.1979(5) 0.0844(3) 0.4396(2) 0.0666(18) Uani 1 1 d . . .
H11 H -0.2116 0.0433 0.4236 0.080 Uiso 1 1 calc R . .
C13 C -0.2278(4) 0.1437(3) 0.4167(2) 0.0581(15) Uani 1 1 d . . .
C20 C -0.1285(4) 0.1460(3) 0.77097(19) 0.0508(13) Uani 1 1 d . . .
C21 C -0.1823(6) 0.0874(3) 0.8460(2) 0.082(2) Uani 1 1 d . . .
H21 H -0.1867 0.0470 0.8647 0.098 Uiso 1 1 calc R . .
C22 C -0.1358(6) 0.0873(3) 0.7996(2) 0.081(2) Uani 1 1 d . . .
H22 H -0.1087 0.0474 0.7871 0.097 Uiso 1 1 calc R . .
C23 C -0.1734(6) 0.2005(3) 0.7890(3) 0.095(3) Uani 1 1 d . . .
H23 H -0.1726 0.2403 0.7696 0.114 Uiso 1 1 calc R . .
C24 C -0.2209(6) 0.1995(3) 0.8357(3) 0.099(3) Uani 1 1 d . . .
H24 H -0.2529 0.2383 0.8467 0.119 Uiso 1 1 calc R . .
C25 C -0.0759(4) 0.1479(3) 0.72093(19) 0.0474(12) Uani 1 1 d . . .
C26 C -0.3725(4) 0.1453(3) 0.27093(19) 0.0509(13) Uani 1 1 d . . .
C27 C -0.4237(4) 0.1474(3) 0.22091(19) 0.0484(12) Uani 1 1 d . . .
C35 C -0.0238(5) -0.0601(3) 0.6029(3) 0.0716(13) Uani 1 1 d U . .
H35 H -0.0436 -0.0367 0.5734 0.086 Uiso 1 1 calc R . .
C36 C -0.0320(6) -0.1295(3) 0.6039(4) 0.115(2) Uani 1 1 d . . .
H36 H -0.0602 -0.1525 0.5762 0.138 Uiso 1 1 calc R . .
C37 C 0.0016(7) -0.1640(3) 0.6459(5) 0.115(2) Uani 1 1 d D . .
C38 C 0.0385(7) -0.1290(4) 0.6843(4) 0.118(3) Uani 1 1 d . . .
H38 H 0.0622 -0.1517 0.7133 0.142 Uiso 1 1 calc R . .
C39 C 0.0428(6) -0.0595(3) 0.6825(3) 0.093(2) Uani 1 1 d . . .
H39 H 0.0687 -0.0362 0.7106 0.112 Uiso 1 1 calc R A .
C40 C -0.1487(5) 0.0843(3) 0.4852(2) 0.0647(17) Uani 1 1 d . . .
H40 H -0.1265 0.0436 0.4990 0.078 Uiso 1 1 calc R . .
C130 C -0.0778(4) 0.1462(3) 0.56102(18) 0.0449(12) Uani 1 1 d . . .
C41 C 0.2729(4) 0.1727(3) 0.6486(2) 0.0583(15) Uani 1 1 d . . .
C42 C 0.1796(4) 0.1397(3) 0.6445(2) 0.0482(12) Uani 1 1 d . A .
C43 C 0.3555(5) 0.1354(4) 0.6563(4) 0.104(3) Uani 1 1 d . . .
H43 H 0.3514 0.0884 0.6591 0.125 Uiso 1 1 calc R . .
C44 C 0.4413(5) 0.1653(3) 0.6599(4) 0.099(3) Uani 1 1 d . . .
H44 H 0.4950 0.1389 0.6670 0.119 Uiso 1 1 calc R . .
C45 C 0.4520(4) 0.2338(3) 0.6534(3) 0.0701(18) Uani 1 1 d . . .
C46 C 0.3703(4) 0.2706(3) 0.6450(3) 0.088(2) Uani 1 1 d . . .
H46 H 0.3743 0.3173 0.6405 0.106 Uiso 1 1 calc R . .
C47 C 0.2836(4) 0.2397(3) 0.6432(3) 0.083(2) Uani 1 1 d . . .
H47 H 0.2293 0.2662 0.6381 0.099 Uiso 1 1 calc R . .
C50 C -0.2803(7) 0.2002(3) 0.3361(3) 0.103(3) Uani 1 1 d . . .
H50 H -0.2502 0.2395 0.3476 0.124 Uiso 1 1 calc R . .
C51 C -0.3169(6) 0.0874(3) 0.3453(2) 0.081(2) Uani 1 1 d . . .
H51 H -0.3100 0.0465 0.3629 0.097 Uiso 1 1 calc R . .
C52 C -0.3259(6) 0.2003(4) 0.2892(3) 0.095(3) Uani 1 1 d . . .
H52 H -0.3249 0.2396 0.2692 0.114 Uiso 1 1 calc R . .
C53 C -0.3656(6) 0.0880(3) 0.3000(2) 0.079(2) Uani 1 1 d . . .
H53 H -0.3950 0.0484 0.2884 0.094 Uiso 1 1 calc R . .
C60 C 0.5581(5) 0.3355(3) 0.6598(4) 0.093(3) Uani 1 1 d . . .
H60 H 0.5045 0.3625 0.6658 0.112 Uiso 1 1 calc R . .
C61 C 0.6293(4) 0.2298(3) 0.6457(3) 0.089(2) Uani 1 1 d . . .
H61 H 0.6253 0.1830 0.6416 0.107 Uiso 1 1 calc R . .
C62 C 0.6449(5) 0.3641(4) 0.6571(4) 0.095(3) Uani 1 1 d . . .
H62 H 0.6499 0.4109 0.6609 0.114 Uiso 1 1 calc R . .
C63 C 0.7170(4) 0.2604(3) 0.6435(3) 0.087(2) Uani 1 1 d . . .
H63 H 0.7713 0.2339 0.6380 0.104 Uiso 1 1 calc R . .
C64 C 0.7269(4) 0.3269(3) 0.6489(2) 0.0550(14) Uani 1 1 d . . .
C65 C 0.8201(4) 0.3600(3) 0.6445(2) 0.0481(12) Uani 1 1 d . . .
C67 C 0.5475(4) 0.2660(3) 0.6537(3) 0.0699(18) Uani 1 1 d . . .
C80 C -0.2779(5) 0.1436(3) 0.3662(2) 0.0617(16) Uani 1 1 d . . .
C111 C -0.2223(5) 0.1438(3) 0.8659(2) 0.0628(16) Uani 1 1 d . . .
C112 C -0.2725(4) 0.1440(3) 0.9168(2) 0.0567(15) Uani 1 1 d . . .
C113 C -0.2900(5) 0.2035(3) 0.9427(2) 0.0712(19) Uani 1 1 d . . .
H113 H -0.2679 0.2443 0.9289 0.085 Uiso 1 1 calc R . .
C114 C -0.3023(5) 0.0842(3) 0.9394(2) 0.0640(17) Uani 1 1 d . . .
H114 H -0.2897 0.0432 0.9228 0.077 Uiso 1 1 calc R . .
C115 C -0.3397(5) 0.2037(3) 0.9886(2) 0.0671(17) Uani 1 1 d . . .
H115 H -0.3541 0.2447 1.0046 0.081 Uiso 1 1 calc R . .
C116 C -0.3683(4) 0.1442(3) 1.01112(19) 0.0506(13) Uani 1 1 d . . .
C117 C -0.3501(5) 0.0842(3) 0.9859(2) 0.0621(16) Uani 1 1 d . . .
H117 H -0.3702 0.0434 1.0005 0.075 Uiso 1 1 calc R . .
C118 C -0.4218(4) 0.1464(3) 1.06083(19) 0.0470(12) Uani 1 1 d . . .
C120 C -0.0015(7) -0.3363(4) 0.6463(5) 0.115(2) Uani 1 1 d D . .
C121 C 0.0293(6) -0.3698(4) 0.6048(4) 0.114(3) Uani 1 1 d . A .
H121 H 0.0545 -0.3463 0.5765 0.137 Uiso 1 1 calc R . .
C122 C -0.0377(7) -0.3715(4) 0.6847(4) 0.118(3) Uani 1 1 d . A .
H122 H -0.0621 -0.3491 0.7137 0.141 Uiso 1 1 calc R . .
C123 C -0.0400(7) -0.4404(3) 0.6827(3) 0.101(3) Uani 1 1 d . . .
H123 H -0.0637 -0.4640 0.7112 0.121 Uiso 1 1 calc R A .
C124 C 0.0239(5) -0.4391(3) 0.6039(3) 0.084(2) Uani 1 1 d . . .
H124 H 0.0456 -0.4619 0.5745 0.100 Uiso 1 1 calc R A .
C127 C 0.237(3) -0.057(2) 0.862(2) 0.49(2) Uiso 1 1 d . . .
C129 C 0.263(3) 0.1102(18) 0.7932(15) 0.388(15) Uiso 1 1 d . . .
N1 N -0.0104(4) -0.4747(2) 0.64269(18) 0.0581(12) Uani 1 1 d . . .
N2 N 0.0122(4) -0.0253(2) 0.6431(2) 0.0647(11) Uani 1 1 d U . .
N3 N 0.0101(16) -0.2684(4) 0.6339(8) 0.115(2) Uani 0.50 1 d PD A 1
N4 N -0.0012(16) -0.2303(4) 0.6641(7) 0.115(2) Uani 0.50 1 d PD A 1
N4A N -0.0063(12) -0.2404(6) 0.6261(5) 0.091(4) Uani 0.50 1 d P A 2
N3A N -0.0018(13) -0.2600(7) 0.6688(6) 0.096(5) Uani 0.50 1 d P A 2
N5 N 0.192(2) 0.0293(18) 0.8226(11) 0.391(12) Uiso 1 1 d D . .
O1 O -0.0392(3) 0.09319(18) 0.70629(13) 0.0567(10) Uani 1 1 d . A .
O2 O -0.0740(3) 0.20166(19) 0.69748(14) 0.0644(11) Uani 1 1 d . A .
O3 O -0.4280(3) 0.20044(19) 1.08354(14) 0.0623(11) Uani 1 1 d . . .
O4 O -0.4567(3) 0.09064(18) 1.07615(13) 0.0564(10) Uani 1 1 d . . .
O14 O -0.0433(3) 0.09076(18) 0.57612(13) 0.0575(10) Uani 1 1 d . A .
O7 O -0.4256(3) 0.2018(2) 0.19730(14) 0.0674(11) Uani 1 1 d . . .
O8 O -0.4608(3) 0.09276(18) 0.20590(13) 0.0538(9) Uani 1 1 d . . .
O9 O 0.1719(3) 0.07681(19) 0.6463(2) 0.0813(14) Uani 1 1 d . A .
O10 O 0.1060(3) 0.17362(17) 0.63937(15) 0.0551(9) Uani 1 1 d . A .
O11 O 0.8291(3) 0.42258(19) 0.6466(2) 0.0813(14) Uani 1 1 d . . .
O12 O 0.8938(3) 0.32693(17) 0.63894(15) 0.0555(9) Uani 1 1 d . . .
O13 O -0.0719(3) 0.20061(19) 0.58342(14) 0.0625(11) Uani 1 1 d . A .
O15 O 0.021(3) -0.035(2) 0.8109(16) 0.63(2) Uiso 1 1 d . . .
Zn1 Zn 0.02442(4) 0.07819(2) 0.640805(18) 0.03465(17) Uani 1 1 d . . .
Zn2 Zn 0.00009(4) 0.25002(2) 0.640622(17) 0.03149(16) Uani 1 1 d . . .
Zn3 Zn 0.97560(4) 0.42185(2) 0.640682(18) 0.03473(17) Uani 1 1 d . . .
C140 C 0.193(15) -0.044(3) 0.809(8) 1.22(15) Uiso 1 1 d D . .
C131 C 0.0832 0.0265 0.8138 0.54(3) Uiso 1 1 d . . .
C139 C 0.2074 0.1057 0.8263 1.01(10) Uiso 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'
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
C9 C8 C40 118.9(5) . .
C9 C8 C130 120.0(5) . .
C40 C8 C130 121.0(5) . .
C10 C9 C8 120.2(5) . .
C9 C10 C13 122.3(5) . .
C40 C11 C13 121.7(5) . .
C10 C13 C11 116.9(5) . .
C10 C13 C80 121.6(5) . .
C11 C13 C80 121.5(5) . .
C23 C20 C22 117.4(5) . .
C23 C20 C25 121.1(5) . .
C22 C20 C25 121.5(5) . .
C111 C21 C22 122.1(5) . .
C21 C22 C20 120.3(5) . .
C20 C23 C24 121.5(6) . .
C111 C24 C23 121.6(6) . .
O2 C25 O1 126.3(4) . .
O2 C25 C20 117.4(5) . .
O1 C25 C20 116.3(4) . .
C52 C26 C53 116.3(5) . .
C52 C26 C27 121.0(5) . .
C53 C26 C27 122.5(5) . .
O7 C27 O8 125.9(5) . .
O7 C27 C26 117.7(5) . .
O8 C27 C26 116.4(4) . .
N2 C35 C36 121.8(7) . .
C37 C36 C35 119.0(9) . .
C38 C37 C36 118.1(7) . .
C38 C37 N4 104.7(11) . .
C36 C37 N4 136.7(12) . .
C38 C37 N4A 140.0(10) . .
C36 C37 N4A 101.2(9) . .
N4 C37 N4A 38.4(10) . .
C37 C38 C39 121.1(9) . .
N2 C39 C38 122.3(8) . .
C11 C40 C8 119.9(5) . .
O13 C130 O14 126.4(4) . .
O13 C130 C8 117.2(5) . .
O14 C130 C8 116.4(4) . .
C47 C41 C43 116.6(6) . .
C47 C41 C42 122.2(5) . .
C43 C41 C42 121.1(5) . .
O10 C42 O9 118.1(5) . .
O10 C42 C41 120.6(5) . .
O9 C42 C41 121.2(5) . .
O10 C42 Zn1 62.2(3) . .
O9 C42 Zn1 55.9(3) . .
C41 C42 Zn1 176.7(4) . .
C44 C43 C41 121.4(6) . .
C43 C44 C45 121.6(6) . .
C44 C45 C46 116.8(6) . .
C44 C45 C67 121.5(6) . .
C46 C45 C67 121.6(6) . .
C47 C46 C45 120.7(6) . .
C41 C47 C46 122.7(6) . .
C80 C50 C52 121.2(6) . .
C80 C51 C53 122.7(5) . .
C26 C52 C50 122.1(6) . .
C51 C53 C26 121.2(5) . .
C62 C60 C67 120.5(6) . .
C67 C61 C63 121.7(6) . .
C60 C62 C64 122.5(6) . .
C64 C63 C61 121.7(6) . .
C63 C64 C62 117.2(6) . .
C63 C64 C65 121.7(5) . .
C62 C64 C65 121.1(5) . .
O12 C65 O11 116.6(5) . .
O12 C65 C64 121.4(5) . .
O11 C65 C64 122.1(5) . .
O12 C65 Zn3 61.6(3) . .
O11 C65 Zn3 55.0(3) . .
C64 C65 Zn3 176.5(4) . .
C61 C67 C60 116.4(6) . .
C61 C67 C45 122.0(6) . .
C60 C67 C45 121.5(6) . .
C51 C80 C50 116.0(5) . .
C51 C80 C13 122.9(5) . .
C50 C80 C13 120.9(5) . .
C24 C111 C21 116.8(5) . .
C24 C111 C112 120.9(5) . .
C21 C111 C112 122.2(5) . .
C113 C112 C114 118.3(5) . .
C113 C112 C111 120.9(5) . .
C114 C112 C111 120.8(5) . .
C115 C113 C112 120.7(5) . .
C117 C114 C112 121.0(5) . .
C116 C115 C113 120.8(5) . .
C115 C116 C117 119.0(4) . .
C115 C116 C118 119.2(5) . .
C117 C116 C118 121.8(5) . .
C114 C117 C116 120.2(5) . .
O3 C118 O4 125.7(4) . .
O3 C118 C116 118.4(5) . .
O4 C118 C116 115.9(4) . .
C122 C120 C121 118.0(7) . .
C122 C120 N3 136.9(12) . .
C121 C120 N3 105.0(11) . .
C122 C120 N3A 102.8(10) . .
C121 C120 N3A 138.9(11) . .
N3 C120 N3A 35.0(10) . .
C120 C121 C124 119.5(8) . .
C120 C122 C123 120.6(9) . .
N1 C123 C122 122.9(8) . .
N1 C124 C121 122.9(8) . .
C123 N1 C124 116.1(6) . .
C123 N1 Zn3 120.6(4) . 1_445
C124 N1 Zn3 123.3(5) . 1_445
C39 N2 C35 117.6(6) . .
C39 N2 Zn1 121.0(5) . .
C35 N2 Zn1 121.3(4) . .
N4 N3 C120 119.0(13) . .
N3 N4 C37 113.9(11) . .
N3A N4A C37 90.5(11) . .
N4A N3A C120 88.4(11) . .
C140 N5 C131 87(9) . .
C140 N5 C139 166(9) . .
C131 N5 C139 100.8(19) . .
C25 O1 Zn1 125.7(3) . .
C25 O2 Zn2 140.8(3) . .
C118 O3 Zn2 143.5(4) . 4_566
C118 O4 Zn3 124.6(3) . 4_466
C130 O14 Zn1 124.5(3) . .
C27 O7 Zn2 140.6(4) . 4_565
C27 O8 Zn3 126.0(3) . 4_465
C42 O9 Zn1 94.1(3) . .
C42 O10 Zn2 165.7(4) . .
C42 O10 Zn1 88.0(3) . .
Zn2 O10 Zn1 104.36(15) . .
C65 O11 Zn3 95.2(3) . .
C65 O12 Zn2 164.5(4) . 1_655
C65 O12 Zn3 88.9(3) . .
Zn2 O12 Zn3 104.25(15) 1_655 .
C130 O13 Zn2 142.8(3) . .
O1 Zn1 O14 120.53(18) . .
O1 Zn1 N2 95.12(18) . .
O14 Zn1 N2 96.42(18) . .
O1 Zn1 O9 113.7(2) . .
O14 Zn1 O9 123.3(2) . .
N2 Zn1 O9 93.91(18) . .
O1 Zn1 O10 97.01(15) . .
O14 Zn1 O10 97.42(15) . .
N2 Zn1 O10 153.62(17) . .
O9 Zn1 O10 59.75(14) . .
O1 Zn1 C42 107.07(17) . .
O14 Zn1 C42 113.42(17) . .
N2 Zn1 C42 123.92(19) . .
O9 Zn1 C42 30.01(15) . .
O10 Zn1 C42 29.75(14) . .
O7 Zn2 O3 92.40(18) 4_666 4_665
O7 Zn2 O2 87.86(18) 4_666 .
O3 Zn2 O2 178.88(15) 4_665 .
O7 Zn2 O13 178.81(16) 4_666 .
O3 Zn2 O13 87.23(17) 4_665 .
O2 Zn2 O13 92.54(18) . .
O7 Zn2 O10 89.26(15) 4_666 .
O3 Zn2 O10 89.22(15) 4_665 .
O2 Zn2 O10 91.87(15) . .
O13 Zn2 O10 89.61(15) . .
O7 Zn2 O12 92.14(15) 4_666 1_455
O3 Zn2 O12 89.24(15) 4_665 1_455
O2 Zn2 O12 89.67(15) . 1_455
O13 Zn2 O12 88.98(15) . 1_455
O10 Zn2 O12 177.96(14) . 1_455
O8 Zn3 O4 120.45(17) 4_766 4_765
O8 Zn3 N1 94.79(17) 4_766 1_665
O4 Zn3 N1 95.87(17) 4_765 1_665
O8 Zn3 O11 113.4(2) 4_766 .
O4 Zn3 O11 123.7(2) 4_765 .
N1 Zn3 O11 94.93(18) 1_665 .
O8 Zn3 O12 97.49(15) 4_766 .
O4 Zn3 O12 97.40(15) 4_765 .
N1 Zn3 O12 154.09(17) 1_665 .
O11 Zn3 O12 59.23(14) . .
O8 Zn3 C65 107.14(17) 4_766 .
O4 Zn3 C65 113.53(17) 4_765 .
N1 Zn3 C65 124.68(19) 1_665 .
O11 Zn3 C65 29.76(15) . .
O12 Zn3 C65 29.48(14) . .
N5 C140 C127 87(8) . .
O15 C131 N5 128(2) . .
C129 C139 N5 97.4(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C8 C9 1.376(7) .
C8 C40 1.400(7) .
C8 C130 1.508(7) .
C9 C10 1.367(7) .
C10 C13 1.387(8) .
C11 C40 1.371(7) .
C11 C13 1.390(8) .
C13 C80 1.490(7) .
C20 C23 1.342(8) .
C20 C22 1.389(7) .
C20 C25 1.498(7) .
C21 C111 1.360(8) .
C21 C22 1.374(8) .
C23 C24 1.386(8) .
C24 C111 1.359(9) .
C25 O2 1.233(6) .
C25 O1 1.264(6) .
C26 C52 1.363(8) .
C26 C53 1.372(7) .
C26 C27 1.488(7) .
C27 O7 1.247(6) .
C27 O8 1.268(6) .
C35 N2 1.353(8) .
C35 C36 1.387(9) .
C36 C37 1.376(13) .
C37 C38 1.324(13) .
C37 N4 1.404(5) .
C37 N4A 1.610(15) .
C38 C39 1.388(10) .
C39 N2 1.303(8) .
C130 O13 1.234(6) .
C130 O14 1.269(6) .
C41 C47 1.350(8) .
C41 C43 1.397(9) .
C41 C42 1.474(7) .
C42 O10 1.246(6) .
C42 O9 1.259(6) .
C42 Zn1 2.511(5) .
C43 C44 1.353(9) .
C44 C45 1.383(8) .
C45 C46 1.383(8) .
C45 C67 1.492(8) .
C46 C47 1.370(8) .
C50 C80 1.372(9) .
C50 C52 1.378(8) .
C51 C80 1.360(8) .
C51 C53 1.365(8) .
C60 C62 1.351(9) .
C60 C67 1.403(8) .
C61 C67 1.376(8) .
C61 C63 1.381(8) .
C62 C64 1.390(8) .
C63 C64 1.340(8) .
C64 C65 1.474(7) .
C65 O12 1.240(6) .
C65 O11 1.255(6) .
C65 Zn3 2.519(5) .
C111 C112 1.502(7) .
C112 C113 1.386(8) .
C112 C114 1.394(7) .
C113 C115 1.384(7) .
C114 C117 1.384(7) .
C115 C116 1.384(8) .
C116 C117 1.387(7) .
C116 C118 1.496(6) .
C118 O3 1.231(6) .
C118 O4 1.279(6) .
C120 C122 1.322(13) .
C120 C121 1.340(13) .
C120 N3 1.400(5) .
C120 N3A 1.630(15) .
C121 C124 1.383(10) .
C122 C123 1.374(10) .
C123 N1 1.312(8) .
C124 N1 1.325(8) .
C127 C140 1.54(19) .
C129 C139 1.17(4) .
N1 Zn3 2.072(4) 1_445
N2 Zn1 2.071(5) .
N3 N4 1.103(10) .
N4A N3A 1.178(19) .
N5 C140 1.505(10) .
N5 C131 1.55(3) .
N5 C139 1.54(4) .
O1 Zn1 1.947(3) .
O2 Zn2 2.051(3) .
O3 Zn2 2.050(3) 4_566
O4 Zn3 1.946(3) 4_466
O14 Zn1 1.950(3) .
O7 Zn2 2.047(3) 4_565
O8 Zn3 1.940(3) 4_465
O9 Zn1 2.085(4) .
O10 Zn2 2.133(4) .
O10 Zn1 2.223(4) .
O11 Zn3 2.072(4) .
O12 Zn2 2.144(3) 1_655
O12 Zn3 2.216(3) .
O13 Zn2 2.052(3) .
O15 C131 1.52(4) .
Zn2 O7 2.047(3) 4_666
Zn2 O3 2.050(3) 4_665
Zn2 O12 2.144(3) 1_455
Zn3 O8 1.940(3) 4_766
Zn3 O4 1.946(3) 4_765
Zn3 N1 2.072(4) 1_665
