#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:39:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180480 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/49/7214916.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_7214916
loop_
_publ_author_name
'Jin, Juan'
'Bai, Fu-Quan'
'Li, Guang-Hua'
'Jia, Ming-Jun'
'Zhao, Jin-Jing'
'Jia, Hong-Li'
'Yu, Jie-Hui'
'Xu, Ji-Qing'
_publ_section_title
;
 Synthesis, structural characterization and photoluminescence property of
 four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              8162
_journal_paper_doi               10.1039/c2ce26263k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C92 H74 N28 O24 Zn3'
_chemical_formula_weight         2151.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/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                 95.42(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.194(3)
_cell_length_b                   12.050(2)
_cell_length_c                   22.453(5)
_cell_measurement_reflns_used    10548
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.99
_cell_volume                     4631.2(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       w
_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  0.0893
_diffrn_reflns_av_sigmaI/netI    0.0741
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            44006
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.864
_exptl_absorpt_correction_T_max  0.917
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
Process-auto', Higashi, T.(1995).Program for Absorption Correction.
Rigaku Corporation, Tokyo,Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.034
_refine_diff_density_min         -0.682
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     647
_refine_ls_number_reflns         10548
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.1193
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1324P)²+1.1912P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2040
_refine_ls_wR_factor_ref         0.2318
_reflns_number_gt                6450
_reflns_number_total             10548
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26263k.txt
_cod_data_source_block           2
_cod_original_cell_volume        4630.9(16)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7214916
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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 0.97682(3) 0.36985(5) 0.03864(2) 0.03547(19) Uani 1 1 d .
Zn2 Zn 1.2500 0.28600(7) 0.2500 0.0418(2) Uani 1 2 d S
N1 N 1.0769(2) 0.4446(3) 0.07337(15) 0.0335(9) Uani 1 1 d .
N2 N 1.0973(2) 0.4214(3) 0.13289(15) 0.0314(9) Uani 1 1 d .
H2A H 1.0647 0.3825 0.1509 0.038 Uiso 1 1 calc R
N3 N 1.3288(2) 0.8618(3) 0.41815(16) 0.0357(9) Uani 1 1 d .
H3A H 1.2965 0.9020 0.4358 0.043 Uiso 1 1 calc R
N4 N 1.3892(3) 0.8129(3) 0.45467(15) 0.0380(10) Uani 1 1 d .
N5 N 1.4552(3) 0.7260(6) 0.1431(2) 0.0749(17) Uani 1 1 d .
N6 N 1.5217(4) 0.7756(7) 0.1704(3) 0.114(3) Uani 1 1 d .
H6A H 1.5282 0.7806 0.2087 0.137 Uiso 1 1 calc R
H6B H 1.5565 0.8015 0.1490 0.137 Uiso 1 1 calc R
N7 N 1.1729(3) 0.1714(4) 0.2028(2) 0.0558(13) Uani 1 1 d .
N8 N 1.2953(3) 0.2823(4) 0.1652(2) 0.0542(13) Uani 1 1 d .
N9 N 0.9296(3) 0.2713(3) 0.09893(16) 0.0393(10) Uani 1 1 d .
N10 N 0.8938(3) 0.1719(4) 0.08083(16) 0.0430(10) Uani 1 1 d .
H10A H 0.8908 0.1583 0.0431 0.052 Uiso 1 1 calc R
N11 N 1.1922(3) -0.0149(4) 0.46053(16) 0.0401(10) Uani 1 1 d .
N12 N 1.1879(3) 0.0203(4) 0.51861(17) 0.0439(11) Uani 1 1 d .
H12A H 1.2258 0.0005 0.5442 0.053 Uiso 1 1 calc R
N13 N 0.8322(4) 0.2759(6) 0.3848(2) 0.0797(18) Uani 1 1 d .
N14 N 0.7720(4) 0.3150(7) 0.3466(3) 0.104(2) Uani 1 1 d .
H14A H 0.7671 0.2936 0.3099 0.125 Uiso 1 1 calc R
H14B H 0.7390 0.3609 0.3592 0.125 Uiso 1 1 calc R
C1 C 1.3136(3) 0.6615(4) 0.07869(19) 0.0381(11) Uani 1 1 d .
H1A H 1.3467 0.7069 0.0590 0.046 Uiso 1 1 calc R
C2 C 1.3311(3) 0.6402(4) 0.14069(18) 0.0306(10) Uani 1 1 d .
C3 C 1.2815(3) 0.5705(4) 0.16818(17) 0.0299(10) Uani 1 1 d .
H3B H 1.2923 0.5541 0.2086 0.036 Uiso 1 1 calc R
C4 C 1.2152(3) 0.5240(4) 0.13631(17) 0.0279(9) Uani 1 1 d .
C5 C 1.1977(3) 0.5472(4) 0.07513(18) 0.0306(10) Uani 1 1 d .
C6 C 1.2485(3) 0.6163(4) 0.04695(18) 0.0373(11) Uani 1 1 d .
H6C H 1.2383 0.6319 0.0064 0.045 Uiso 1 1 calc R
C7 C 1.1258(3) 0.5038(4) 0.04391(18) 0.0337(11) Uani 1 1 d .
C8 C 1.1625(3) 0.4533(4) 0.16546(17) 0.0284(10) Uani 1 1 d .
C9 C 1.4696(3) 0.6420(4) 0.2764(2) 0.0385(11) Uani 1 1 d .
H9A H 1.5028 0.5937 0.2587 0.046 Uiso 1 1 calc R
C10 C 1.4793(3) 0.6586(4) 0.3373(2) 0.0382(11) Uani 1 1 d .
H10B H 1.5189 0.6213 0.3603 0.046 Uiso 1 1 calc R
C11 C 1.4306(3) 0.7302(4) 0.36479(18) 0.0322(10) Uani 1 1 d .
C12 C 1.3700(3) 0.7829(4) 0.32955(18) 0.0309(10) Uani 1 1 d .
C13 C 1.3610(3) 0.7672(4) 0.26712(18) 0.0306(10) Uani 1 1 d .
H13B H 1.3216 0.8044 0.2440 0.037 Uiso 1 1 calc R
C14 C 1.4099(3) 0.6975(4) 0.24040(19) 0.0333(10) Uani 1 1 d .
C15 C 1.3154(3) 0.8533(4) 0.35852(19) 0.0328(10) Uani 1 1 d .
C16 C 1.4381(3) 0.7491(4) 0.42978(19) 0.0327(10) Uani 1 1 d .
C17 C 1.4035(3) 0.6875(4) 0.17322(19) 0.0358(11) Uani 1 1 d .
C18 C 1.1182(4) 0.1090(5) 0.2226(4) 0.0709(19) Uani 1 1 d .
H18A H 1.1164 0.1040 0.2638 0.085 Uiso 1 1 calc R
C19 C 1.0631(5) 0.0502(7) 0.1862(5) 0.095(3) Uani 1 1 d .
H19A H 1.0265 0.0053 0.2024 0.114 Uiso 1 1 calc R
C20 C 1.0643(5) 0.0603(7) 0.1269(5) 0.093(3) Uani 1 1 d .
H20A H 1.0270 0.0235 0.1015 0.112 Uiso 1 1 calc R
C21 C 1.1219(5) 0.1265(6) 0.1020(4) 0.081(3) Uani 1 1 d .
C22 C 1.1282(8) 0.1422(8) 0.0401(4) 0.110(4) Uani 1 1 d .
H22A H 1.0918 0.1085 0.0127 0.131 Uiso 1 1 calc R
C23 C 1.1851(7) 0.2042(8) 0.0198(3) 0.099(4) Uani 1 1 d .
H23A H 1.1855 0.2172 -0.0211 0.119 Uiso 1 1 calc R
C24 C 1.2445(6) 0.2495(6) 0.0605(3) 0.084(3) Uani 1 1 d .
C25 C 1.3085(8) 0.3098(8) 0.0442(4) 0.102(4) Uani 1 1 d .
H25A H 1.3124 0.3226 0.0037 0.122 Uiso 1 1 calc R
C26 C 1.3660(7) 0.3510(7) 0.0848(4) 0.095(3) Uani 1 1 d .
H26A H 1.4098 0.3867 0.0726 0.114 Uiso 1 1 calc R
C27 C 1.3555(5) 0.3364(6) 0.1477(3) 0.072(2) Uani 1 1 d .
H27A H 1.3922 0.3661 0.1764 0.086 Uiso 1 1 calc R
C28 C 1.1764(4) 0.1769(5) 0.1438(3) 0.0608(18) Uani 1 1 d .
C29 C 1.2408(5) 0.2383(5) 0.1221(2) 0.0602(19) Uani 1 1 d .
C30 C 0.8529(3) 0.0689(6) 0.2808(2) 0.0560(16) Uani 1 1 d .
H30A H 0.8369 0.0180 0.3083 0.067 Uiso 1 1 calc R
C31 C 0.8809(3) 0.1725(6) 0.3008(2) 0.0471(14) Uani 1 1 d .
C32 C 0.9063(3) 0.2459(5) 0.2604(2) 0.0451(13) Uani 1 1 d .
H32A H 0.9268 0.3140 0.2735 0.054 Uiso 1 1 calc R
C33 C 0.9017(3) 0.2192(4) 0.1990(2) 0.0391(11) Uani 1 1 d .
C34 C 0.8710(3) 0.1176(5) 0.1792(2) 0.0439(13) Uani 1 1 d .
C35 C 0.8485(3) 0.0401(5) 0.2201(2) 0.0533(15) Uani 1 1 d .
H35A H 0.8308 -0.0297 0.2074 0.064 Uiso 1 1 calc R
C36 C 0.9320(3) 0.2971(5) 0.1569(2) 0.0419(12) Uani 1 1 d .
C37 C 0.8638(3) 0.0953(5) 0.1143(2) 0.0453(13) Uani 1 1 d .
C38 C 1.0036(4) 0.1742(6) 0.5113(2) 0.0602(17) Uani 1 1 d .
H38A H 1.0022 0.1976 0.5507 0.072 Uiso 1 1 calc R
C39 C 1.0659(3) 0.1099(4) 0.4952(2) 0.0411(12) Uani 1 1 d .
C40 C 1.0670(3) 0.0750(4) 0.4368(2) 0.0371(11) Uani 1 1 d .
C41 C 1.0060(3) 0.1029(4) 0.3934(2) 0.0399(12) Uani 1 1 d .
H41A H 1.0067 0.0776 0.3543 0.048 Uiso 1 1 calc R
C42 C 0.9453(3) 0.1679(5) 0.4091(2) 0.0444(13) Uani 1 1 d .
C43 C 0.9446(4) 0.2024(6) 0.4685(2) 0.0609(18) Uani 1 1 d .
H43A H 0.9032 0.2454 0.4793 0.073 Uiso 1 1 calc R
C44 C 1.1347(3) 0.0103(4) 0.41984(19) 0.0396(11) Uani 1 1 d D
C45 C 1.1315(3) 0.0822(5) 0.5401(2) 0.0440(12) Uani 1 1 d .
C46 C 0.8821(4) 0.2058(6) 0.3649(2) 0.0559(16) Uani 1 1 d .
O1 O 1.1080(2) 0.5246(3) -0.01259(12) 0.0389(8) Uani 1 1 d .
O2 O 1.17294(19) 0.4209(3) 0.21917(12) 0.0335(7) Uani 1 1 d .
O3 O 1.2596(2) 0.9026(3) 0.33014(13) 0.0440(9) Uani 1 1 d .
O4 O 1.4939(2) 0.7002(3) 0.46314(13) 0.0423(9) Uani 1 1 d .
O5 O 0.9623(3) 0.3890(3) 0.17488(16) 0.0544(10) Uani 1 1 d .
O6 O 0.8322(3) 0.0099(4) 0.09133(17) 0.0655(12) Uani 1 1 d .
O7 O 1.1357(2) -0.0173(4) 0.36569(14) 0.0537(10) Uani 1 1 d D
O8 O 1.1367(3) 0.1131(4) 0.59280(15) 0.0607(12) Uani 1 1 d .
OW1 O 0.7980(5) 0.5396(7) 0.1030(4) 0.154(3) Uiso 1 1 d .
OW2 O 0.7803(8) 0.7838(10) 0.1367(5) 0.212(5) Uiso 1 1 d D
OW3 O 0.8346(7) 0.5011(11) 0.2406(5) 0.222(5) Uiso 1 1 d .
OW4 O 0.8263(15) 0.741(2) 0.2551(7) 0.224(10) Uiso 0.50 1 d PD
OW5 O 0.5293(15) 0.524(2) 0.0515(10) 0.218(9) Uiso 0.50 1 d P
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
O4 Zn1 O1 100.89(14) 4_565 3_765
O4 Zn1 N9 115.58(16) 4_565 .
O1 Zn1 N9 104.08(16) 3_765 .
O4 Zn1 N1 109.60(15) 4_565 .
O1 Zn1 N1 113.70(15) 3_765 .
N9 Zn1 N1 112.43(15) . .
N8 Zn2 N8 177.6(3) 2_755 .
N8 Zn2 N7 99.7(2) 2_755 .
N8 Zn2 N7 78.7(2) . .
N8 Zn2 N7 78.7(2) 2_755 2_755
N8 Zn2 N7 99.7(2) . 2_755
N7 Zn2 N7 99.0(3) . 2_755
N8 Zn2 O2 89.69(15) 2_755 2_755
N8 Zn2 O2 92.13(17) . 2_755
N7 Zn2 O2 168.26(16) . 2_755
N7 Zn2 O2 89.69(15) 2_755 2_755
N8 Zn2 O2 92.13(17) 2_755 .
N8 Zn2 O2 89.69(15) . .
N7 Zn2 O2 89.69(15) . .
N7 Zn2 O2 168.26(16) 2_755 .
O2 Zn2 O2 82.91(17) 2_755 .
C7 N1 N2 118.5(4) . .
C7 N1 Zn1 126.9(3) . .
N2 N1 Zn1 114.3(3) . .
C8 N2 N1 126.6(4) . .
C15 N3 N4 127.1(4) . .
C16 N4 N3 118.2(4) . .
C17 N5 N6 121.3(5) . .
C18 N7 C28 117.7(6) . .
C18 N7 Zn2 129.4(5) . .
C28 N7 Zn2 112.3(4) . .
C27 N8 C29 118.7(6) . .
C27 N8 Zn2 128.6(5) . .
C29 N8 Zn2 110.6(4) . .
C36 N9 N10 117.3(4) . .
C36 N9 Zn1 122.4(3) . .
N10 N9 Zn1 120.2(3) . .
C37 N10 N9 128.3(4) . .
C44 N11 N12 118.8(4) . .
C45 N12 N11 127.8(4) . .
C46 N13 N14 119.3(6) . .
C6 C1 C2 121.4(4) . .
C3 C2 C1 117.7(4) . .
C3 C2 C17 122.2(4) . .
C1 C2 C17 120.0(4) . .
C2 C3 C4 121.3(4) . .
C3 C4 C5 120.4(4) . .
C3 C4 C8 121.2(4) . .
C5 C4 C8 118.4(4) . .
C6 C5 C4 118.3(4) . .
C6 C5 C7 122.2(4) . .
C4 C5 C7 119.4(4) . .
C1 C6 C5 120.8(4) . .
O1 C7 N1 119.2(4) . .
O1 C7 C5 120.7(4) . .
N1 C7 C5 120.1(4) . .
O2 C8 N2 118.0(4) . .
O2 C8 C4 125.2(4) . .
N2 C8 C4 116.8(4) . .
C10 C9 C14 120.8(5) . .
C9 C10 C11 120.7(4) . .
C10 C11 C12 118.7(4) . .
C10 C11 C16 122.5(4) . .
C12 C11 C16 118.7(4) . .
C11 C12 C13 120.5(4) . .
C11 C12 C15 119.1(4) . .
C13 C12 C15 120.4(4) . .
C14 C13 C12 120.4(4) . .
C13 C14 C9 118.9(4) . .
C13 C14 C17 119.9(4) . .
C9 C14 C17 121.0(4) . .
O3 C15 N3 121.6(4) . .
O3 C15 C12 122.8(4) . .
N3 C15 C12 115.6(4) . .
O4 C16 N4 119.4(4) . .
O4 C16 C11 119.4(4) . .
N4 C16 C11 121.2(4) . .
N5 C17 C2 118.5(4) . .
N5 C17 C14 121.4(4) . .
C2 C17 C14 119.9(4) . .
N7 C18 C19 124.3(8) . .
C20 C19 C18 117.8(9) . .
C19 C20 C21 121.2(8) . .
C28 C21 C22 119.4(10) . .
C28 C21 C20 115.2(8) . .
C22 C21 C20 125.4(9) . .
C23 C22 C21 122.3(9) . .
C22 C23 C24 119.8(8) . .
C29 C24 C25 114.9(8) . .
C29 C24 C23 120.4(10) . .
C25 C24 C23 124.7(9) . .
C26 C25 C24 123.3(8) . .
C25 C26 C27 117.0(9) . .
N8 C27 C26 121.7(8) . .
N7 C28 C21 123.7(8) . .
N7 C28 C29 117.6(5) . .
C21 C28 C29 118.7(7) . .
N8 C29 C24 124.3(8) . .
N8 C29 C28 116.6(5) . .
C24 C29 C28 119.1(7) . .
C31 C30 C35 121.3(5) . .
C32 C31 C30 119.1(5) . .
C32 C31 C46 119.3(6) . .
C30 C31 C46 121.6(5) . .
C31 C32 C33 120.6(5) . .
C34 C33 C32 119.9(5) . .
C34 C33 C36 120.4(4) . .
C32 C33 C36 119.6(5) . .
C33 C34 C35 120.0(5) . .
C33 C34 C37 118.1(4) . .
C35 C34 C37 121.9(5) . .
C34 C35 C30 119.0(5) . .
O5 C36 N9 119.1(5) . .
O5 C36 C33 120.9(4) . .
N9 C36 C33 120.0(5) . .
O6 C37 N10 121.1(5) . .
O6 C37 C34 123.2(5) . .
N10 C37 C34 115.6(5) . .
C43 C38 C39 119.3(5) . .
C40 C39 C38 119.7(5) . .
C40 C39 C45 120.1(5) . .
C38 C39 C45 120.1(4) . .
C39 C40 C41 120.8(5) . .
C39 C40 C44 119.1(4) . .
C41 C40 C44 120.0(4) . .
C42 C41 C40 119.5(4) . .
C41 C42 C43 119.2(5) . .
C41 C42 C46 122.2(5) . .
C43 C42 C46 118.5(5) . .
C38 C43 C42 121.4(5) . .
O7 C44 N11 122.0(5) . .
O7 C44 C40 118.0(4) . .
N11 C44 C40 120.0(4) . .
O8 C45 N12 121.3(5) . .
O8 C45 C39 124.5(5) . .
N12 C45 C39 114.1(4) . .
N13 C46 C42 115.7(5) . .
N13 C46 C31 123.5(5) . .
C42 C46 C31 120.6(5) . .
C7 O1 Zn1 120.7(3) . 3_765
C8 O2 Zn2 124.3(3) . .
C16 O4 Zn1 122.4(3) . 4_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.940(3) 4_565
Zn1 O1 1.981(3) 3_765
Zn1 N9 2.028(4) .
Zn1 N1 2.031(4) .
Zn2 N8 2.124(5) 2_755
Zn2 N8 2.124(5) .
Zn2 N7 2.126(5) .
Zn2 N7 2.126(5) 2_755
Zn2 O2 2.169(3) 2_755
Zn2 O2 2.169(3) .
N1 C7 1.326(6) .
N1 N2 1.378(5) .
N2 C8 1.337(5) .
N3 C15 1.341(5) .
N3 N4 1.393(5) .
N4 C16 1.303(6) .
N5 C17 1.257(7) .
N5 N6 1.380(8) .
N7 C18 1.314(9) .
N7 C28 1.334(8) .
N8 C27 1.314(9) .
N8 C29 1.387(8) .
N9 C36 1.335(6) .
N9 N10 1.389(6) .
N10 C37 1.324(7) .
N11 C44 1.316(6) .
N11 N12 1.380(5) .
N12 C45 1.349(7) .
N13 C46 1.312(8) .
N13 N14 1.364(8) .
C1 C6 1.381(7) .
C1 C2 1.420(6) .
C2 C3 1.383(6) .
C2 C17 1.495(6) .
C3 C4 1.405(6) .
C4 C5 1.406(5) .
C4 C8 1.444(6) .
C5 C6 1.400(7) .
C5 C7 1.459(6) .
C7 O1 1.301(5) .
C8 O2 1.264(5) .
C9 C10 1.378(6) .
C9 C14 1.413(7) .
C10 C11 1.386(7) .
C11 C12 1.400(6) .
C11 C16 1.471(6) .
C12 C13 1.409(6) .
C12 C15 1.463(7) .
C13 C14 1.367(7) .
C14 C17 1.507(6) .
C15 O3 1.250(6) .
C16 O4 1.301(5) .
C18 C19 1.387(10) .
C19 C20 1.338(12) .
C20 C21 1.426(13) .
C21 C28 1.400(9) .
C21 C22 1.416(13) .
C22 C23 1.345(14) .
C23 C24 1.415(13) .
C24 C29 1.397(8) .
C24 C25 1.397(14) .
C25 C26 1.374(14) .
C26 C27 1.452(10) .
C28 C29 1.454(10) .
C30 C31 1.397(9) .
C30 C35 1.402(8) .
C31 C32 1.369(8) .
C31 C46 1.491(7) .
C32 C33 1.410(6) .
C33 C34 1.390(7) .
C33 C36 1.463(7) .
C34 C35 1.390(7) .
C34 C37 1.475(7) .
C36 O5 1.273(6) .
C37 O6 1.252(6) .
C38 C43 1.373(8) .
C38 C39 1.397(8) .
C39 C40 1.378(6) .
C39 C45 1.478(7) .
C40 C41 1.403(7) .
C40 C44 1.482(7) .
C41 C42 1.377(8) .
C42 C43 1.400(7) .
C42 C46 1.474(7) .
C44 O7 1.262(5) .
C45 O8 1.235(6) .
O1 Zn1 1.981(3) 3_765
O4 Zn1 1.940(3) 4_666
