#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:52:30 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179601 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/65/4506547.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_4506547
loop_
_publ_author_name
'Li, Huijun'
'Zhao, Bei'
'Ding, Ran'
'Jia, Yanyuan'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Structural Diversity for a Series of Novel Zn Metal--Organic Frameworks
 Based on Different Secondary Building Units
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4170
_journal_paper_doi               10.1021/cg3006794
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C48 H52 N10 O24 Zn3'
_chemical_formula_weight         1349.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 132.767(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.826(5)
_cell_length_b                   7.7641(16)
_cell_length_c                   36.021(11)
_cell_measurement_reflns_used    9863
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8764
_cell_measurement_theta_min      1.7207
_cell_volume                     5302(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type
;
Saturn724 (4x4 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_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  0.0953
_diffrn_reflns_av_sigmaI/netI    0.1015
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            35093
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.444
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6425
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2768
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         1.046
_refine_diff_density_min         -1.221
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     768
_refine_ls_number_reflns         9264
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.1474
_refine_ls_R_factor_gt           0.0964
_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)+(0.2310P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2892
_refine_ls_wR_factor_ref         0.3553
_reflns_number_gt                6721
_reflns_number_total             9264
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3006794_si_002.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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        5302(2)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4506547
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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 0.35289(5) 0.72635(14) 0.84587(4) 0.0301(3) Uani 1 1 d .
Zn2 Zn 0.26216(5) 0.35219(13) 0.77647(4) 0.0315(4) Uani 1 1 d .
Zn3 Zn 0.88089(6) 0.68731(15) 1.02207(4) 0.0385(4) Uani 1 1 d .
O1 O 0.7471(4) 0.3469(12) 0.8932(3) 0.057(2) Uani 1 1 d .
O2 O 0.5195(4) 0.5027(13) 0.7634(3) 0.065(2) Uani 1 1 d .
O3 O 0.5821(4) 0.2219(12) 0.8991(3) 0.058(2) Uani 1 1 d .
O4 O 0.8567(4) 0.4417(10) 1.0236(3) 0.055(2) Uani 1 1 d .
O5 O 0.7619(5) 0.6042(12) 0.9775(4) 0.073(3) Uani 1 1 d .
O6 O 0.0633(4) 1.1631(10) 0.6728(3) 0.0457(18) Uani 1 1 d .
O7 O -0.1460(4) 1.1634(9) 0.6305(3) 0.0476(19) Uani 1 1 d .
O8 O 0.0270(4) 0.8037(10) 0.7522(3) 0.055(2) Uani 1 1 d .
O9 O 0.2482(3) 0.7635(8) 0.7996(2) 0.0327(15) Uani 1 1 d .
O10 O 0.2116(3) 0.5725(8) 0.7392(2) 0.0359(15) Uani 1 1 d .
O11 O 0.1965(3) 0.2120(9) 0.7103(2) 0.0379(16) Uani 1 1 d .
H11 H 0.1585 0.1970 0.7022 0.057 Uiso 1 1 calc R
O12 O 0.3189(4) 0.1353(9) 0.8223(3) 0.0490(19) Uani 1 1 d .
H12 H 0.3084 0.1141 0.8388 0.073 Uiso 1 1 calc R
O13 O 0.3661(3) 0.4869(9) 0.8330(3) 0.0388(16) Uani 1 1 d .
O14 O 0.3391(3) 0.3594(10) 0.7685(2) 0.0429(17) Uani 1 1 d .
O15 O -0.2527(4) 0.6376(9) 0.6452(3) 0.0465(18) Uani 1 1 d .
O16 O -0.2064(4) 0.8513(9) 0.7014(3) 0.0439(17) Uani 1 1 d .
O17 O 0.6345(5) 0.3363(12) 0.6989(3) 0.063(2) Uani 1 1 d .
O18 O 0.7355(5) 0.4322(10) 0.7738(3) 0.059(2) Uani 1 1 d .
O19 O -0.1152(4) 1.5980(10) 0.5530(3) 0.054(2) Uani 1 1 d .
O20 O -0.0497(5) 1.7805(10) 0.6167(3) 0.070(3) Uani 1 1 d .
N1 N -0.0402(4) 1.1754(9) 0.6529(3) 0.0287(16) Uani 1 1 d .
N2 N -0.0595(4) 0.9843(10) 0.6925(3) 0.0298(16) Uani 1 1 d .
N3 N 0.0503(4) 0.9869(9) 0.7165(3) 0.0283(16) Uani 1 1 d .
N4 N 0.3592(4) 0.6651(10) 0.9075(3) 0.0322(17) Uani 1 1 d .
N5 N 0.4533(4) 0.8229(10) 0.9097(3) 0.0355(18) Uani 1 1 d .
N6 N 0.5487(4) 0.3618(11) 0.8311(3) 0.0338(19) Uani 1 1 d .
N7 N 0.6342(4) 0.4316(11) 0.8286(3) 0.0395(19) Uani 1 1 d .
N8 N 0.6672(4) 0.2857(11) 0.8989(3) 0.0361(19) Uani 1 1 d .
N9 N 0.8454(5) 0.7802(11) 0.9537(3) 0.042(2) Uani 1 1 d .
N10 N 0.9750(5) 0.6707(10) 1.0379(3) 0.0367(19) Uani 1 1 d .
C1 C 0.7816(6) 0.8308(16) 0.9118(4) 0.055(3) Uani 1 1 d .
H1 H 0.7439 0.8193 0.9098 0.066 Uiso 1 1 calc R
C2 C 0.7693(7) 0.9006(16) 0.8708(4) 0.058(3) Uani 1 1 d .
H2 H 0.7238 0.9318 0.8417 0.069 Uiso 1 1 calc R
C3 C 0.8227(7) 0.9229(16) 0.8729(4) 0.062(4) Uani 1 1 d .
H3 H 0.8145 0.9742 0.8460 0.075 Uiso 1 1 calc R
C4 C 0.8913(6) 0.8687(13) 0.9159(4) 0.045(3) Uani 1 1 d .
C5 C 0.9006(6) 0.7953(12) 0.9559(4) 0.037(2) Uani 1 1 d .
C6 C 0.9533(9) 0.8813(16) 0.9218(6) 0.064(4) Uani 1 1 d .
H6 H 0.9485 0.9280 0.8959 0.077 Uiso 1 1 calc R
C7 C 1.0156(8) 0.8273(15) 0.9635(6) 0.062(4) Uani 1 1 d .
H7 H 1.0538 0.8394 0.9661 0.075 Uiso 1 1 calc R
C8 C 1.0275(6) 0.7520(13) 1.0045(4) 0.044(3) Uani 1 1 d .
C9 C 0.9686(5) 0.7366(12) 1.0011(4) 0.036(2) Uani 1 1 d .
C10 C 1.0902(6) 0.6939(16) 1.0475(5) 0.057(3) Uani 1 1 d .
H10 H 1.1296 0.7008 1.0514 0.069 Uiso 1 1 calc R
C11 C 1.0968(6) 0.6252(14) 1.0855(5) 0.057(3) Uani 1 1 d .
H11A H 1.1401 0.5841 1.1148 0.068 Uiso 1 1 calc R
C12 C 1.0377(6) 0.6177(15) 1.0795(4) 0.051(3) Uani 1 1 d .
H12A H 1.0426 0.5738 1.1057 0.061 Uiso 1 1 calc R
C13 C 0.7927(6) 0.4649(15) 0.9988(4) 0.045(3) Uani 1 1 d .
C14 C 0.7499(6) 0.3094(18) 0.9933(4) 0.056(3) Uani 1 1 d .
H14A H 0.7804 0.2390 1.0236 0.067 Uiso 1 1 calc R
H14B H 0.7117 0.3515 0.9901 0.067 Uiso 1 1 calc R
C15 C 0.7193(6) 0.1977(15) 0.9467(4) 0.047(3) Uani 1 1 d .
H15A H 0.7576 0.1604 0.9494 0.057 Uiso 1 1 calc R
H15B H 0.6979 0.0955 0.9470 0.057 Uiso 1 1 calc R
C16 C 0.6873(5) 0.3518(13) 0.8755(4) 0.038(2) Uani 1 1 d .
C17 C 0.5655(6) 0.4373(16) 0.8054(4) 0.047(3) Uani 1 1 d .
C18 C 0.5980(6) 0.2845(13) 0.8781(4) 0.042(3) Uani 1 1 d .
C19 C 0.4739(6) 0.3477(15) 0.8065(4) 0.045(3) Uani 1 1 d .
H19A H 0.4642 0.2304 0.8095 0.054 Uiso 1 1 calc R
H19B H 0.4434 0.3743 0.7708 0.054 Uiso 1 1 calc R
C20 C 0.4576(5) 0.4690(13) 0.8302(4) 0.038(2) Uani 1 1 d .
H20A H 0.4617 0.5872 0.8238 0.045 Uiso 1 1 calc R
H20B H 0.4912 0.4514 0.8665 0.045 Uiso 1 1 calc R
C21 C 0.3827(5) 0.4360(12) 0.8079(4) 0.036(2) Uani 1 1 d .
C22 C -0.2086(5) 0.7567(12) 0.6720(3) 0.031(2) Uani 1 1 d .
C23 C -0.1552(5) 0.7889(13) 0.6682(4) 0.040(2) Uani 1 1 d .
H23A H -0.1795 0.8172 0.6335 0.048 Uiso 1 1 calc R
H23B H -0.1285 0.6841 0.6770 0.048 Uiso 1 1 calc R
C24 C 0.2005(5) 0.6964(12) 0.7562(3) 0.031(2) Uani 1 1 d .
C25 C 0.1298(6) 0.7757(13) 0.7243(4) 0.043(2) Uani 1 1 d .
H25A H 0.1168 0.8164 0.6934 0.051 Uiso 1 1 calc R
H25B H 0.0964 0.6868 0.7148 0.051 Uiso 1 1 calc R
C26 C 0.1222(4) 0.9198(12) 0.7468(3) 0.030(2) Uani 1 1 d .
H26A H 0.1394 0.8825 0.7792 0.037 Uiso 1 1 calc R
H26B H 0.1523 1.0133 0.7532 0.037 Uiso 1 1 calc R
C27 C 0.0269(5) 1.1126(12) 0.6804(3) 0.031(2) Uani 1 1 d .
C28 C -0.0858(4) 1.1125(11) 0.6569(3) 0.0261(18) Uani 1 1 d .
C29 C 0.0061(5) 0.9137(11) 0.7214(3) 0.031(2) Uani 1 1 d .
C30 C 0.3105(5) 0.5921(12) 0.9050(4) 0.036(2) Uani 1 1 d .
H30 H 0.2653 0.5761 0.8736 0.044 Uiso 1 1 calc R
C31 C 0.3256(6) 0.5386(16) 0.9485(4) 0.052(3) Uani 1 1 d .
H31 H 0.2909 0.4834 0.9454 0.063 Uiso 1 1 calc R
C32 C 0.3892(7) 0.5656(15) 0.9946(5) 0.051(3) Uani 1 1 d .
H32 H 0.3986 0.5304 1.0234 0.062 Uiso 1 1 calc R
C33 C 0.4416(6) 0.6478(13) 0.9989(4) 0.044(3) Uani 1 1 d .
C34 C 0.4230(5) 0.6959(11) 0.9525(3) 0.029(2) Uani 1 1 d .
C35 C 0.4734(5) 0.7809(12) 0.9544(3) 0.033(2) Uani 1 1 d .
C36 C 0.4977(6) 0.9097(13) 0.9101(4) 0.042(2) Uani 1 1 d .
H36 H 0.4824 0.9430 0.8792 0.050 Uiso 1 1 calc R
C37 C 0.5649(7) 0.9537(16) 0.9533(5) 0.058(3) Uani 1 1 d .
H37 H 0.5947 1.0120 0.9516 0.070 Uiso 1 1 calc R
C38 C 0.5870(5) 0.9091(15) 0.9992(4) 0.052(3) Uani 1 1 d .
H38 H 0.6322 0.9378 1.0291 0.062 Uiso 1 1 calc R
C39 C 0.5412(6) 0.8206(13) 1.0008(5) 0.045(3) Uani 1 1 d .
C40 C 0.5583(6) 0.7692(13) 1.0471(4) 0.046(3) Uani 1 1 d .
H40 H 0.6027 0.7944 1.0783 0.055 Uiso 1 1 calc R
C41 C 0.5122(7) 0.6880(15) 1.0455(4) 0.051(3) Uani 1 1 d .
H41 H 0.5258 0.6549 1.0758 0.062 Uiso 1 1 calc R
C42 C 0.6739(6) 0.3729(13) 0.7444(4) 0.039(2) Uani 1 1 d .
C43 C 0.6539(5) 0.4894(14) 0.8005(4) 0.042(2) Uani 1 1 d .
H43A H 0.7023 0.5298 0.8240 0.051 Uiso 1 1 calc R
H43B H 0.6236 0.5839 0.7782 0.051 Uiso 1 1 calc R
C44 C 0.6459(7) 0.3391(15) 0.7696(5) 0.055(3) Uani 1 1 d .
H44A H 0.6703 0.2399 0.7916 0.065 Uiso 1 1 calc R
H44B H 0.5962 0.3098 0.7436 0.065 Uiso 1 1 calc R
C45 C -0.0650(5) 1.3132(11) 0.6157(3) 0.034(2) Uani 1 1 d .
H45A H -0.1150 1.2984 0.5869 0.041 Uiso 1 1 calc R
H45B H -0.0409 1.3022 0.6038 0.041 Uiso 1 1 calc R
C46 C -0.1042(5) 0.9338(13) 0.7025(4) 0.038(2) Uani 1 1 d .
H46A H -0.1309 1.0332 0.6977 0.046 Uiso 1 1 calc R
H46B H -0.0743 0.8974 0.7374 0.046 Uiso 1 1 calc R
C47 C -0.0731(6) 1.6320(12) 0.6004(4) 0.043(3) Uani 1 1 d .
C48 C -0.0523(6) 1.4903(13) 0.6371(4) 0.045(3) Uani 1 1 d .
H48A H -0.0026 1.5023 0.6672 0.054 Uiso 1 1 calc R
H48B H -0.0788 1.5035 0.6470 0.054 Uiso 1 1 calc R
O21 O 0.2738(7) 0.165(2) 0.9825(6) 0.138(6) Uani 1 1 d .
O22 O 0.6102(6) 0.574(2) 0.3394(5) 0.143(6) Uani 1 1 d .
O23 O 0.6223(6) 0.8025(17) 0.4099(5) 0.113(4) Uani 1 1 d .
O24 O 0.2411(5) 0.9432(12) 0.9126(3) 0.071(3) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O13 Zn1 O9 106.6(3) . .
O13 Zn1 O17 93.5(3) . 2_656
O9 Zn1 O17 97.5(3) . 2_656
O13 Zn1 N5 107.8(3) . .
O9 Zn1 N5 144.6(3) . .
O17 Zn1 N5 88.6(3) 2_656 .
O13 Zn1 N4 97.3(3) . .
O9 Zn1 N4 90.2(3) . .
O17 Zn1 N4 164.3(3) 2_656 .
N5 Zn1 N4 77.3(3) . .
O10 Zn2 O11 91.5(3) . .
O10 Zn2 O16 87.3(3) . 2_546
O11 Zn2 O16 101.6(3) . 2_546
O10 Zn2 O12 174.0(3) . .
O11 Zn2 O12 94.2(3) . .
O16 Zn2 O12 89.5(3) 2_546 .
O10 Zn2 O14 97.3(3) . .
O11 Zn2 O14 88.3(3) . .
O16 Zn2 O14 169.0(3) 2_546 .
O12 Zn2 O14 85.0(3) . .
O10 Zn2 O13 92.5(3) . .
O11 Zn2 O13 146.5(3) . .
O16 Zn2 O13 111.7(3) 2_546 .
O12 Zn2 O13 83.9(3) . .
O14 Zn2 O13 58.2(2) . .
O19 Zn3 O4 133.0(4) 4_686 .
O19 Zn3 N9 100.8(3) 4_686 .
O4 Zn3 N9 117.6(3) . .
O19 Zn3 N10 107.1(3) 4_686 .
O4 Zn3 N10 105.0(3) . .
N9 Zn3 N10 80.9(3) . .
O19 Zn3 O5 99.0(3) 4_686 .
O4 Zn3 O5 58.9(3) . .
N9 Zn3 O5 88.1(3) . .
N10 Zn3 O5 153.1(3) . .
C13 O4 Zn3 97.4(7) . .
C13 O5 Zn3 80.2(7) . .
C24 O9 Zn1 126.5(6) . .
C24 O10 Zn2 125.3(6) . .
Zn2 O11 H11 109.5 . .
Zn2 O12 H12 109.5 . .
C21 O13 Zn1 129.4(6) . .
C21 O13 Zn2 89.0(5) . .
Zn1 O13 Zn2 110.9(3) . .
C21 O14 Zn2 93.6(6) . .
C22 O16 Zn2 133.0(6) . 2_556
C42 O17 Zn1 135.6(8) . 2_646
C47 O19 Zn3 104.5(6) . 4_485
C28 N1 C27 123.4(7) . .
C28 N1 C45 118.7(7) . .
C27 N1 C45 117.8(8) . .
C29 N2 C28 124.8(8) . .
C29 N2 C46 118.6(8) . .
C28 N2 C46 116.4(8) . .
C29 N3 C27 122.2(7) . .
C29 N3 C26 119.5(7) . .
C27 N3 C26 118.1(7) . .
C30 N4 C34 119.5(8) . .
C30 N4 Zn1 128.1(6) . .
C34 N4 Zn1 112.2(6) . .
C36 N5 C35 118.7(9) . .
C36 N5 Zn1 127.3(7) . .
C35 N5 Zn1 113.9(6) . .
C18 N6 C17 123.4(8) . .
C18 N6 C19 116.4(8) . .
C17 N6 C19 120.0(8) . .
C17 N7 C16 123.7(9) . .
C17 N7 C43 118.9(8) . .
C16 N7 C43 116.8(8) . .
C16 N8 C18 124.0(8) . .
C16 N8 C15 118.6(8) . .
C18 N8 C15 117.1(8) . .
C1 N9 C5 118.4(10) . .
C1 N9 Zn3 130.9(8) . .
C5 N9 Zn3 110.7(7) . .
C12 N10 C9 118.8(10) . .
C12 N10 Zn3 129.3(8) . .
C9 N10 Zn3 111.8(7) . .
N9 C1 C2 122.2(12) . .
N9 C1 H1 118.9 . .
C2 C1 H1 118.9 . .
C3 C2 C1 120.4(12) . .
C3 C2 H2 119.8 . .
C1 C2 H2 119.8 . .
C2 C3 C4 120.0(11) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 117.4(11) . .
C5 C4 C6 117.7(11) . .
C3 C4 C6 124.9(11) . .
N9 C5 C4 121.6(10) . .
N9 C5 C9 117.3(9) . .
C4 C5 C9 121.1(10) . .
C7 C6 C4 120.9(11) . .
C7 C6 H6 119.6 . .
C4 C6 H6 119.6 . .
C6 C7 C8 123.4(12) . .
C6 C7 H7 118.3 . .
C8 C7 H7 118.3 . .
C10 C8 C7 125.3(12) . .
C10 C8 C9 116.3(10) . .
C7 C8 C9 118.4(11) . .
N10 C9 C5 119.0(9) . .
N10 C9 C8 122.5(9) . .
C5 C9 C8 118.5(9) . .
C8 C10 C11 121.2(11) . .
C8 C10 H10 119.4 . .
C11 C10 H10 119.4 . .
C10 C11 C12 118.9(11) . .
C10 C11 H11A 120.6 . .
C12 C11 H11A 120.6 . .
N10 C12 C11 122.3(12) . .
N10 C12 H12A 118.8 . .
C11 C12 H12A 118.8 . .
O4 C13 O5 123.1(11) . .
O4 C13 C14 117.4(10) . .
O5 C13 C14 119.6(11) . .
C15 C14 C13 111.7(9) . .
C15 C14 H14A 109.3 . .
C13 C14 H14A 109.3 . .
C15 C14 H14B 109.3 . .
C13 C14 H14B 109.3 . .
H14A C14 H14B 107.9 . .
N8 C15 C14 113.8(10) . .
N8 C15 H15A 108.8 . .
C14 C15 H15A 108.8 . .
N8 C15 H15B 108.8 . .
C14 C15 H15B 108.8 . .
H15A C15 H15B 107.7 . .
O1 C16 N8 123.5(10) . .
O1 C16 N7 120.2(9) . .
N8 C16 N7 116.3(8) . .
O2 C17 N7 122.5(10) . .
O2 C17 N6 121.0(10) . .
N7 C17 N6 116.5(9) . .
O3 C18 N6 121.8(10) . .
O3 C18 N8 122.2(10) . .
N6 C18 N8 115.9(8) . .
N6 C19 C20 111.4(8) . .
N6 C19 H19A 109.4 . .
C20 C19 H19A 109.4 . .
N6 C19 H19B 109.4 . .
C20 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
C19 C20 C21 109.7(8) . .
C19 C20 H20A 109.7 . .
C21 C20 H20A 109.7 . .
C19 C20 H20B 109.7 . .
C21 C20 H20B 109.7 . .
H20A C20 H20B 108.2 . .
O14 C21 O13 118.8(8) . .
O14 C21 C20 122.3(9) . .
O13 C21 C20 118.8(9) . .
O16 C22 O15 125.0(9) . .
O16 C22 C23 117.4(9) . .
O15 C22 C23 117.6(8) . .
C22 C23 C46 113.2(8) . .
C22 C23 H23A 108.9 . .
C46 C23 H23A 108.9 . .
C22 C23 H23B 108.9 . .
C46 C23 H23B 108.9 . .
H23A C23 H23B 107.8 . .
O10 C24 O9 123.7(8) . .
O10 C24 C25 120.2(9) . .
O9 C24 C25 116.1(8) . .
C26 C25 C24 116.4(9) . .
C26 C25 H25A 108.2 . .
C24 C25 H25A 108.2 . .
C26 C25 H25B 108.2 . .
C24 C25 H25B 108.2 . .
H25A C25 H25B 107.3 . .
N3 C26 C25 115.8(8) . .
N3 C26 H26A 108.3 . .
C25 C26 H26A 108.3 . .
N3 C26 H26B 108.3 . .
C25 C26 H26B 108.3 . .
H26A C26 H26B 107.4 . .
O6 C27 N1 121.1(9) . .
O6 C27 N3 121.8(9) . .
N1 C27 N3 117.2(8) . .
O7 C28 N1 122.6(8) . .
O7 C28 N2 121.4(8) . .
N1 C28 N2 116.0(7) . .
O8 C29 N2 122.6(9) . .
O8 C29 N3 121.1(9) . .
N2 C29 N3 116.0(7) . .
N4 C30 C31 121.5(9) . .
N4 C30 H30 119.2 . .
C31 C30 H30 119.2 . .
C32 C31 C30 121.2(10) . .
C32 C31 H31 119.4 . .
C30 C31 H31 119.4 . .
C31 C32 C33 119.0(10) . .
C31 C32 H32 120.5 . .
C33 C32 H32 120.5 . .
C32 C33 C41 126.0(11) . .
C32 C33 C34 116.9(10) . .
C41 C33 C34 117.1(10) . .
N4 C34 C35 118.6(8) . .
N4 C34 C33 121.9(9) . .
C35 C34 C33 119.5(9) . .
N5 C35 C39 121.6(9) . .
N5 C35 C34 117.1(8) . .
C39 C35 C34 121.2(9) . .
N5 C36 C37 124.1(10) . .
N5 C36 H36 118.0 . .
C37 C36 H36 118.0 . .
C36 C37 C38 118.2(10) . .
C36 C37 H37 120.9 . .
C38 C37 H37 120.9 . .
C37 C38 C39 119.9(10) . .
C37 C38 H38 120.0 . .
C39 C38 H38 120.0 . .
C38 C39 C35 117.5(10) . .
C38 C39 C40 124.8(11) . .
C35 C39 C40 117.7(10) . .
C41 C40 C39 121.2(10) . .
C41 C40 H40 119.4 . .
C39 C40 H40 119.4 . .
C40 C41 C33 123.2(11) . .
C40 C41 H41 118.4 . .
C33 C41 H41 118.4 . .
O17 C42 O18 129.2(10) . .
O17 C42 C44 117.0(10) . .
O18 C42 C44 113.8(9) . .
N7 C43 C44 109.2(8) . .
N7 C43 H43A 109.8 . .
C44 C43 H43A 109.8 . .
N7 C43 H43B 109.8 . .
C44 C43 H43B 109.8 . .
H43A C43 H43B 108.3 . .
C42 C44 C43 114.9(9) . .
C42 C44 H44A 108.6 . .
C43 C44 H44A 108.6 . .
C42 C44 H44B 108.6 . .
C43 C44 H44B 108.6 . .
H44A C44 H44B 107.5 . .
N1 C45 C48 112.9(8) . .
N1 C45 H45A 109.0 . .
C48 C45 H45A 109.0 . .
N1 C45 H45B 109.0 . .
C48 C45 H45B 109.0 . .
H45A C45 H45B 107.8 . .
N2 C46 C23 112.8(8) . .
N2 C46 H46A 109.0 . .
C23 C46 H46A 109.0 . .
N2 C46 H46B 109.0 . .
C23 C46 H46B 109.0 . .
H46A C46 H46B 107.8 . .
O20 C47 O19 121.1(10) . .
O20 C47 C48 119.5(10) . .
O19 C47 C48 119.4(9) . .
C45 C48 C47 113.3(9) . .
C45 C48 H48A 108.9 . .
C47 C48 H48A 108.9 . .
C45 C48 H48B 108.9 . .
C47 C48 H48B 108.9 . .
H48A C48 H48B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O13 2.001(7) .
Zn1 O9 2.013(6) .
Zn1 O17 2.037(8) 2_656
Zn1 N5 2.115(8) .
Zn1 N4 2.165(8) .
Zn2 O10 2.013(6) .
Zn2 O11 2.062(6) .
Zn2 O16 2.067(7) 2_546
Zn2 O12 2.104(7) .
Zn2 O14 2.192(7) .
Zn2 O13 2.242(7) .
Zn3 O19 1.969(8) 4_686
Zn3 O4 2.019(8) .
Zn3 N9 2.086(9) .
Zn3 N10 2.090(9) .
Zn3 O5 2.396(10) .
O1 C16 1.207(12) .
O2 C17 1.232(13) .
O3 C18 1.184(12) .
O4 C13 1.248(13) .
O5 C13 1.250(14) .
O6 C27 1.209(11) .
O7 C28 1.212(11) .
O8 C29 1.199(11) .
O9 C24 1.273(11) .
O10 C24 1.272(11) .
O11 H11 0.8200 .
O12 H12 0.8200 .
O13 C21 1.295(11) .
O14 C21 1.211(12) .
O15 C22 1.261(12) .
O16 C22 1.259(11) .
O16 Zn2 2.067(7) 2_556
O17 C42 1.239(12) .
O17 Zn1 2.037(8) 2_646
O18 C42 1.255(13) .
O19 C47 1.285(13) .
O19 Zn3 1.969(8) 4_485
O20 C47 1.248(13) .
N1 C28 1.368(11) .
N1 C27 1.375(12) .
N1 C45 1.479(11) .
N2 C29 1.363(12) .
N2 C28 1.384(11) .
N2 C46 1.477(11) .
N3 C29 1.391(12) .
N3 C27 1.393(12) .
N3 C26 1.470(10) .
N4 C30 1.326(12) .
N4 C34 1.332(12) .
N5 C36 1.321(13) .
N5 C35 1.352(12) .
N6 C18 1.384(13) .
N6 C17 1.393(13) .
N6 C19 1.484(12) .
N7 C17 1.356(13) .
N7 C16 1.405(13) .
N7 C43 1.475(12) .
N8 C16 1.357(13) .
N8 C18 1.390(13) .
N8 C15 1.447(13) .
N9 C1 1.330(14) .
N9 C5 1.380(14) .
N10 C12 1.319(14) .
N10 C9 1.323(13) .
C1 C2 1.395(17) .
C1 H1 0.9300 .
C2 C3 1.339(19) .
C2 H2 0.9300 .
C3 C4 1.410(17) .
C3 H3 0.9300 .
C4 C5 1.410(14) .
C4 C6 1.468(17) .
C5 C9 1.434(15) .
C6 C7 1.32(2) .
C6 H6 0.9300 .
C7 C8 1.416(17) .
C7 H7 0.9300 .
C8 C10 1.349(17) .
C8 C9 1.445(14) .
C10 C11 1.364(18) .
C10 H10 0.9300 .
C11 C12 1.390(16) .
C11 H11A 0.9300 .
C12 H12A 0.9300 .
C13 C14 1.555(16) .
C14 C15 1.547(17) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C19 C20 1.510(14) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.531(12) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C22 C23 1.496(13) .
C23 C46 1.521(14) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.477(13) .
C25 C26 1.473(13) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C30 C31 1.396(15) .
C30 H30 0.9300 .
C31 C32 1.342(17) .
C31 H31 0.9300 .
C32 C33 1.406(16) .
C32 H32 0.9300 .
C33 C41 1.443(16) .
C33 C34 1.441(14) .
C34 C35 1.419(13) .
C35 C39 1.408(15) .
C36 C37 1.372(16) .
C36 H36 0.9300 .
C37 C38 1.378(17) .
C37 H37 0.9300 .
C38 C39 1.402(16) .
C38 H38 0.9300 .
C39 C40 1.460(16) .
C40 C41 1.313(17) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 C44 1.519(13) .
C43 C44 1.528(15) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C48 1.500(13) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C48 1.509(14) .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
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
O19 Zn3 O4 C13 68.1(8) 4_686
N9 Zn3 O4 C13 -72.7(7) .
N10 Zn3 O4 C13 -160.1(6) .
O5 Zn3 O4 C13 -3.7(6) .
O19 Zn3 O5 C13 -131.6(7) 4_686
O4 Zn3 O5 C13 3.7(6) .
N9 Zn3 O5 C13 127.8(7) .
N10 Zn3 O5 C13 62.4(10) .
O13 Zn1 O9 C24 -31.0(8) .
O17 Zn1 O9 C24 64.9(8) 2_656
N5 Zn1 O9 C24 163.2(7) .
N4 Zn1 O9 C24 -128.8(7) .
O11 Zn2 O10 C24 144.3(7) .
O16 Zn2 O10 C24 42.7(7) 2_546
O12 Zn2 O10 C24 -15(3) .
O14 Zn2 O10 C24 -127.2(7) .
O13 Zn2 O10 C24 -68.9(7) .
O9 Zn1 O13 C21 104.0(8) .
O17 Zn1 O13 C21 5.0(8) 2_656
N5 Zn1 O13 C21 -84.6(8) .
N4 Zn1 O13 C21 -163.6(8) .
O9 Zn1 O13 Zn2 -2.9(4) .
O17 Zn1 O13 Zn2 -101.8(4) 2_656
N5 Zn1 O13 Zn2 168.5(3) .
N4 Zn1 O13 Zn2 89.6(3) .
O10 Zn2 O13 C21 -99.7(5) .
O11 Zn2 O13 C21 -3.2(8) .
O16 Zn2 O13 C21 172.2(5) 2_546
O12 Zn2 O13 C21 85.2(5) .
O14 Zn2 O13 C21 -2.6(5) .
O10 Zn2 O13 Zn1 32.6(3) .
O11 Zn2 O13 Zn1 129.1(4) .
O16 Zn2 O13 Zn1 -55.5(4) 2_546
O12 Zn2 O13 Zn1 -142.5(4) .
O14 Zn2 O13 Zn1 129.6(4) .
O10 Zn2 O14 C21 91.3(6) .
O11 Zn2 O14 C21 -177.4(6) .
O16 Zn2 O14 C21 -22.9(18) 2_546
O12 Zn2 O14 C21 -83.1(6) .
O13 Zn2 O14 C21 2.8(5) .
O13 Zn1 N4 C30 -76.0(8) .
O9 Zn1 N4 C30 30.8(8) .
O17 Zn1 N4 C30 150.6(12) 2_656
N5 Zn1 N4 C30 177.3(9) .
O13 Zn1 N4 C34 98.5(6) .
O9 Zn1 N4 C34 -154.7(6) .
O17 Zn1 N4 C34 -34.9(16) 2_656
N5 Zn1 N4 C34 -8.2(6) .
O13 Zn1 N5 C36 90.6(8) .
O9 Zn1 N5 C36 -103.8(9) .
O17 Zn1 N5 C36 -2.7(9) 2_656
N4 Zn1 N5 C36 -175.7(9) .
O13 Zn1 N5 C35 -86.0(7) .
O9 Zn1 N5 C35 79.6(8) .
O17 Zn1 N5 C35 -179.3(7) 2_656
N4 Zn1 N5 C35 7.7(6) .
O19 Zn3 N9 C1 -75.8(10) 4_686
O4 Zn3 N9 C1 76.1(10) .
N10 Zn3 N9 C1 178.4(10) .
O5 Zn3 N9 C1 23.0(10) .
O19 Zn3 N9 C5 101.0(7) 4_686
O4 Zn3 N9 C5 -107.0(7) .
N10 Zn3 N9 C5 -4.8(6) .
O5 Zn3 N9 C5 -160.2(7) .
O19 Zn3 N10 C12 81.0(9) 4_686
O4 Zn3 N10 C12 -64.2(9) .
N9 Zn3 N10 C12 179.5(9) .
O5 Zn3 N10 C12 -113.5(10) .
O19 Zn3 N10 C9 -93.5(7) 4_686
O4 Zn3 N10 C9 121.3(6) .
N9 Zn3 N10 C9 5.1(6) .
O5 Zn3 N10 C9 72.1(10) .
C5 N9 C1 C2 -1.1(16) .
Zn3 N9 C1 C2 175.6(9) .
N9 C1 C2 C3 -1.7(19) .
C1 C2 C3 C4 2.8(19) .
C2 C3 C4 C5 -1.3(17) .
C2 C3 C4 C6 177.9(12) .
C1 N9 C5 C4 2.5(14) .
Zn3 N9 C5 C4 -174.7(7) .
C1 N9 C5 C9 -178.7(9) .
Zn3 N9 C5 C9 4.0(10) .
C3 C4 C5 N9 -1.4(14) .
C6 C4 C5 N9 179.3(9) .
C3 C4 C5 C9 180.0(9) .
C6 C4 C5 C9 0.6(14) .
C5 C4 C6 C7 -0.7(17) .
C3 C4 C6 C7 180.0(12) .
C4 C6 C7 C8 1(2) .
C6 C7 C8 C10 179.4(13) .
C6 C7 C8 C9 -1.4(18) .
C12 N10 C9 C5 -179.7(9) .
Zn3 N10 C9 C5 -4.6(10) .
C12 N10 C9 C8 0.3(14) .
Zn3 N10 C9 C8 175.4(7) .
N9 C5 C9 N10 0.4(13) .
C4 C5 C9 N10 179.1(9) .
N9 C5 C9 C8 -179.6(8) .
C4 C5 C9 C8 -0.9(14) .
C10 C8 C9 N10 0.5(15) .
C7 C8 C9 N10 -178.8(10) .
C10 C8 C9 C5 -179.5(10) .
C7 C8 C9 C5 1.2(14) .
C7 C8 C10 C11 179.0(11) .
C9 C8 C10 C11 -0.2(17) .
C8 C10 C11 C12 -0.9(18) .
C9 N10 C12 C11 -1.4(16) .
Zn3 N10 C12 C11 -175.6(8) .
C10 C11 C12 N10 1.7(18) .
Zn3 O4 C13 O5 7.3(12) .
Zn3 O4 C13 C14 -174.7(7) .
Zn3 O5 C13 O4 -6.2(10) .
Zn3 O5 C13 C14 175.8(9) .
O4 C13 C14 C15 -88.6(12) .
O5 C13 C14 C15 89.5(13) .
C16 N8 C15 C14 100.1(11) .
C18 N8 C15 C14 -85.1(12) .
C13 C14 C15 N8 -65.1(13) .
C18 N8 C16 O1 -177.4(10) .
C15 N8 C16 O1 -2.9(16) .
C18 N8 C16 N7 3.7(15) .
C15 N8 C16 N7 178.2(9) .
C17 N7 C16 O1 177.7(11) .
C43 N7 C16 O1 6.7(15) .
C17 N7 C16 N8 -3.4(15) .
C43 N7 C16 N8 -174.4(9) .
C16 N7 C17 O2 -177.3(11) .
C43 N7 C17 O2 -6.4(17) .
C16 N7 C17 N6 1.5(16) .
C43 N7 C17 N6 172.3(9) .
C18 N6 C17 O2 179.1(11) .
C19 N6 C17 O2 4.5(16) .
C18 N6 C17 N7 0.3(16) .
C19 N6 C17 N7 -174.3(9) .
C17 N6 C18 O3 179.7(11) .
C19 N6 C18 O3 -5.5(16) .
C17 N6 C18 N8 0.0(15) .
C19 N6 C18 N8 174.8(9) .
C16 N8 C18 O3 178.1(11) .
C15 N8 C18 O3 3.5(16) .
C16 N8 C18 N6 -2.1(15) .
C15 N8 C18 N6 -176.7(9) .
C18 N6 C19 C20 75.9(12) .
C17 N6 C19 C20 -109.1(11) .
N6 C19 C20 C21 -173.5(8) .
Zn2 O14 C21 O13 -4.8(9) .
Zn2 O14 C21 C20 172.9(8) .
Zn1 O13 C21 O14 -111.9(9) .
Zn2 O13 C21 O14 4.7(9) .
Zn1 O13 C21 C20 70.3(11) .
Zn2 O13 C21 C20 -173.1(7) .
C19 C20 C21 O14 -18.3(13) .
C19 C20 C21 O13 159.4(9) .
Zn2 O16 C22 O15 4.8(15) 2_556
Zn2 O16 C22 C23 -175.6(7) 2_556
O16 C22 C23 C46 1.0(12) .
O15 C22 C23 C46 -179.4(9) .
Zn2 O10 C24 O9 49.6(12) .
Zn2 O10 C24 C25 -133.1(8) .
Zn1 O9 C24 O10 12.4(13) .
Zn1 O9 C24 C25 -165.0(7) .
O10 C24 C25 C26 -179.2(9) .
O9 C24 C25 C26 -1.7(14) .
C29 N3 C26 C25 88.2(11) .
C27 N3 C26 C25 -86.3(11) .
C24 C25 C26 N3 -174.6(8) .
C28 N1 C27 O6 174.2(8) .
C45 N1 C27 O6 -3.2(13) .
C28 N1 C27 N3 -4.6(13) .
C45 N1 C27 N3 177.9(7) .
C29 N3 C27 O6 -172.3(9) .
C26 N3 C27 O6 2.0(13) .
C29 N3 C27 N1 6.5(12) .
C26 N3 C27 N1 -179.2(7) .
C27 N1 C28 O7 -176.2(9) .
C45 N1 C28 O7 1.3(13) .
C27 N1 C28 N2 2.8(12) .
C45 N1 C28 N2 -179.8(7) .
C29 N2 C28 O7 176.1(9) .
C46 N2 C28 O7 -9.8(12) .
C29 N2 C28 N1 -2.9(13) .
C46 N2 C28 N1 171.2(7) .
C28 N2 C29 O8 179.3(9) .
C46 N2 C29 O8 5.3(14) .
C28 N2 C29 N3 4.7(13) .
C46 N2 C29 N3 -169.3(8) .
C27 N3 C29 O8 178.8(9) .
C26 N3 C29 O8 4.6(13) .
C27 N3 C29 N2 -6.5(12) .
C26 N3 C29 N2 179.3(8) .
C34 N4 C30 C31 -3.3(15) .
Zn1 N4 C30 C31 170.9(8) .
N4 C30 C31 C32 2.7(18) .
C30 C31 C32 C33 -0.6(18) .
C31 C32 C33 C41 179.3(11) .
C31 C32 C33 C34 -0.8(16) .
C30 N4 C34 C35 -177.3(8) .
Zn1 N4 C34 C35 7.6(10) .
C30 N4 C34 C33 1.8(14) .
Zn1 N4 C34 C33 -173.3(7) .
C32 C33 C34 N4 0.3(14) .
C41 C33 C34 N4 -179.8(9) .
C32 C33 C34 C35 179.4(9) .
C41 C33 C34 C35 -0.7(13) .
C36 N5 C35 C39 -2.8(14) .
Zn1 N5 C35 C39 174.1(7) .
C36 N5 C35 C34 176.7(9) .
Zn1 N5 C35 C34 -6.4(11) .
N4 C34 C35 N5 -1.0(13) .
C33 C34 C35 N5 179.9(8) .
N4 C34 C35 C39 178.5(9) .
C33 C34 C35 C39 -0.6(14) .
C35 N5 C36 C37 3.2(15) .
Zn1 N5 C36 C37 -173.3(9) .
N5 C36 C37 C38 -1.9(18) .
C36 C37 C38 C39 0.3(17) .
C37 C38 C39 C35 0.0(16) .
C37 C38 C39 C40 -179.0(11) .
N5 C35 C39 C38 1.3(14) .
C34 C35 C39 C38 -178.2(9) .
N5 C35 C39 C40 -179.7(9) .
C34 C35 C39 C40 0.9(14) .
C38 C39 C40 C41 179.2(11) .
C35 C39 C40 C41 0.3(15) .
C39 C40 C41 C33 -1.7(17) .
C32 C33 C41 C40 -178.2(11) .
C34 C33 C41 C40 1.9(16) .
Zn1 O17 C42 O18 39.2(19) 2_646
Zn1 O17 C42 C44 -139.4(10) 2_646
C17 N7 C43 C44 -86.2(12) .
C16 N7 C43 C44 85.3(11) .
O17 C42 C44 C43 -131.1(11) .
O18 C42 C44 C43 50.1(15) .
N7 C43 C44 C42 -172.0(10) .
C28 N1 C45 C48 89.3(10) .
C27 N1 C45 C48 -93.2(10) .
C29 N2 C46 C23 -95.6(10) .
C28 N2 C46 C23 89.9(10) .
C22 C23 C46 N2 -170.4(8) .
Zn3 O19 C47 O20 6.0(13) 4_485
Zn3 O19 C47 C48 -174.7(9) 4_485
N1 C45 C48 C47 176.4(9) .
O20 C47 C48 C45 -162.0(11) .
O19 C47 C48 C45 18.6(15) .
