#------------------------------------------------------------------------------
#$Date: 2019-11-24 10:54:01 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237698 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/74/7237482.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_7237482
loop_
_publ_author_name
'Ni, Ai-Yun'
'Mu, Ying'
'Pan, Jie'
'Han, Song-De'
'Li, Jin-Hua'
'Wang, Guo-Ming'
_publ_section_title
;
 Inorganic--organic hybrid zinc phosphites with
 fluorescence/phosphorescence dual emission performances
;
_journal_issue                   39
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              10411
_journal_paper_doi               10.1039/C8TC03583K
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C33 H47 N13 O24 P6 Zn6'
_chemical_formula_weight         1587.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-06-27 deposited with the CCDC.
2018-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.089(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1876(8)
_cell_length_b                   26.5744(19)
_cell_length_c                   20.1478(16)
_cell_measurement_reflns_used    2810
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.0390
_cell_measurement_theta_min      2.5610
_cell_volume                     5451.0(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Mini'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_unetI/netI     0.0841
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19804
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.512
_exptl_absorpt_coefficient_mu    2.867
_exptl_absorpt_correction_T_max  0.532
_exptl_absorpt_correction_T_min  0.493
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_description       sheet
_exptl_crystal_F_000             3192
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.091
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     741
_refine_ls_number_reflns         9592
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0546
_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)+(0.0665P)²+1.5382P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1557
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6506
_reflns_number_total             9592
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8tc03583k2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7237482
_shelx_shelxl_version_number     2016/6
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.9085(7) 0.9566(3) 0.2069(3) 0.0377(18) Uani 1 1 d . .
H1 H 0.972554 0.935001 0.191556 0.045 Uiso 1 1 calc R U
C2 C 0.8349(7) 0.9479(3) 0.2593(3) 0.0371(17) Uani 1 1 d . .
H2 H 0.839778 0.920183 0.287417 0.045 Uiso 1 1 calc R U
C3 C 0.7815(7) 1.0200(3) 0.2142(3) 0.0336(16) Uani 1 1 d . .
H3 H 0.740147 1.050729 0.206596 0.040 Uiso 1 1 calc R U
C4 C 0.4977(7) 0.8769(3) 0.4304(4) 0.0382(18) Uani 1 1 d . .
H4 H 0.572983 0.864128 0.411789 0.046 Uiso 1 1 calc R U
C5 C 0.4085(8) 0.8510(3) 0.4643(4) 0.0395(18) Uani 1 1 d . .
H5 H 0.412688 0.816813 0.473781 0.047 Uiso 1 1 calc R U
C6 C 0.3414(6) 0.9271(2) 0.4610(3) 0.0271(15) Uani 1 1 d . .
H6 H 0.291568 0.956038 0.466861 0.032 Uiso 1 1 calc R U
C7 C 0.5527(7) 1.1472(3) 0.3677(3) 0.0366(17) Uani 1 1 d . .
H7 H 0.640619 1.149486 0.357135 0.044 Uiso 1 1 calc R U
C8 C 0.4676(7) 1.1855(3) 0.3744(4) 0.0413(19) Uani 1 1 d . .
H8 H 0.487386 1.219520 0.370200 0.050 Uiso 1 1 calc R U
C9 C 0.3600(7) 1.1175(3) 0.3910(4) 0.0370(17) Uani 1 1 d . .
H9 H 0.292953 1.094946 0.399649 0.044 Uiso 1 1 calc R U
C10 C 0.6586(6) 0.9961(2) 0.3125(3) 0.0258(15) Uani 1 1 d . .
C11 C 0.6050(6) 0.9565(2) 0.3459(3) 0.0244(14) Uani 1 1 d . .
H11 H 0.628542 0.923495 0.336637 0.029 Uiso 1 1 calc R U
C12 C 0.5148(6) 0.9672(2) 0.3938(3) 0.0234(14) Uani 1 1 d . .
C13 C 0.4738(6) 1.0152(2) 0.4081(3) 0.0283(15) Uani 1 1 d . .
H13 H 0.413293 1.021533 0.440606 0.034 Uiso 1 1 calc R U
C14 C 0.5286(6) 1.0543(2) 0.3709(3) 0.0268(15) Uani 1 1 d . .
C15 C 0.6208(7) 1.0450(3) 0.3236(3) 0.0340(17) Uani 1 1 d . .
H15 H 0.656580 1.071314 0.299811 0.041 Uiso 1 1 calc R U
C16 C 0.7196(8) 0.8103(3) 0.0990(4) 0.046(2) Uani 1 1 d . .
H16 H 0.734507 0.775932 0.094330 0.055 Uiso 1 1 calc R U
C17 C 0.6096(7) 0.8310(3) 0.1234(4) 0.0391(18) Uani 1 1 d . .
H17 H 0.536928 0.814046 0.138976 0.047 Uiso 1 1 calc R U
C18 C 0.7461(7) 0.8894(2) 0.0949(3) 0.0310(16) Uani 1 1 d . .
H18 H 0.782537 0.920819 0.086979 0.037 Uiso 1 1 calc R U
C19 C 0.4017(7) 1.1235(3) 0.0504(3) 0.0314(16) Uani 1 1 d . .
H19 H 0.352280 1.151706 0.038484 0.038 Uiso 1 1 calc R U
C20 C 0.3533(7) 1.0814(3) 0.0758(4) 0.0370(17) Uani 1 1 d . .
H20 H 0.266367 1.075076 0.085579 0.044 Uiso 1 1 calc R U
C21 C 0.5632(7) 1.0735(2) 0.0655(3) 0.0331(16) Uani 1 1 d . .
H21 H 0.647507 1.059989 0.066672 0.040 Uiso 1 1 calc R U
C22 C 0.2467(7) 0.9041(2) 0.2901(3) 0.0320(16) Uani 1 1 d . .
H22 H 0.273849 0.871424 0.281210 0.038 Uiso 1 1 calc R U
C23 C 0.1589(7) 0.9185(2) 0.3343(3) 0.0308(16) Uani 1 1 d . .
H23 H 0.114274 0.896761 0.361745 0.037 Uiso 1 1 calc R U
C24 C 0.2234(7) 0.9871(2) 0.2887(3) 0.0286(15) Uani 1 1 d . .
H24 H 0.233854 1.020768 0.277654 0.034 Uiso 1 1 calc R U
C25 C 0.5411(6) 0.9209(2) 0.1391(3) 0.0276(15) Uani 1 1 d . .
C26 C 0.4621(7) 0.9145(2) 0.1924(3) 0.0301(16) Uani 1 1 d . .
H26 H 0.465146 0.884856 0.217001 0.036 Uiso 1 1 calc R U
C27 C 0.3775(7) 0.9532(2) 0.2085(3) 0.0268(15) Uani 1 1 d . .
C28 C 0.3767(6) 0.9985(2) 0.1729(3) 0.0278(15) Uani 1 1 d . .
H28 H 0.321436 1.024736 0.184140 0.033 Uiso 1 1 calc R U
C29 C 0.4602(7) 1.0032(2) 0.1204(3) 0.0281(15) Uani 1 1 d . .
C30 C 0.5407(6) 0.9646(2) 0.1023(3) 0.0266(15) Uani 1 1 d . .
H30 H 0.593912 0.967870 0.066033 0.032 Uiso 1 1 calc R U
N1 N 0.8751(6) 1.0024(2) 0.1791(3) 0.0336(14) Uani 1 1 d . .
N2 N 0.7517(5) 0.98765(19) 0.2633(3) 0.0275(13) Uani 1 1 d . .
N3 N 0.3101(5) 0.8829(2) 0.4828(3) 0.0297(13) Uani 1 1 d . .
N4 N 0.4553(5) 0.92594(19) 0.4289(3) 0.0277(13) Uani 1 1 d . .
N5 N 0.3465(6) 1.1661(2) 0.3885(3) 0.0361(15) Uani 1 1 d . .
N6 N 0.4837(5) 1.10458(19) 0.3795(3) 0.0287(13) Uani 1 1 d . .
N7 N 0.8034(5) 0.8466(2) 0.0827(3) 0.0308(13) Uani 1 1 d . .
N8 N 0.6277(5) 0.88215(19) 0.1204(3) 0.0280(13) Uani 1 1 d . .
N9 N 0.5336(6) 1.1192(2) 0.0445(3) 0.0307(13) Uani 1 1 d . .
N10 N 0.4578(5) 1.04922(19) 0.0846(3) 0.0253(12) Uani 1 1 d . .
N11 N 0.1437(6) 0.9704(2) 0.3334(3) 0.0318(13) Uani 1 1 d . .
N12 N 0.2885(5) 0.94821(19) 0.2606(2) 0.0251(12) Uani 1 1 d . .
O1 O 1.1174(4) 0.99992(15) 0.0893(2) 0.0299(11) Uani 1 1 d D .
O2 O 1.0286(4) 0.91654(17) 0.0542(3) 0.0414(13) Uani 1 1 d D .
O3 O 1.1617(5) 0.96769(18) -0.0256(2) 0.0387(12) Uani 1 1 d D .
O4 O 0.9757(5) 0.82301(18) -0.0454(2) 0.0439(13) Uani 1 1 d D .
O5 O 1.1965(5) 0.84364(19) -0.0919(3) 0.0462(13) Uani 1 1 d D .
O6 O 1.0010(5) 0.89480(15) -0.1269(2) 0.0420(13) Uani 1 1 d D .
O7 O 1.0849(5) 0.80234(18) 0.1041(3) 0.0523(15) Uani 1 1 d D .
O8 O 1.2937(6) 0.83383(19) 0.0615(2) 0.0507(15) Uani 1 1 d D .
O9 O 1.2986(5) 0.76680(16) 0.1494(2) 0.0387(12) Uani 1 1 d D .
O10 O 1.3738(6) 0.6987(2) 0.0214(2) 0.0600(16) Uani 1 1 d D .
O11 O 1.4409(6) 0.76933(18) -0.0539(3) 0.0665(18) Uani 1 1 d D .
O12 O 1.5963(5) 0.69907(19) -0.0271(3) 0.0534(16) Uani 1 1 d D .
O13 O 1.6380(5) 0.6390(2) 0.1111(2) 0.0502(14) Uani 1 1 d D .
O14 O 1.4316(5) 0.6587(2) 0.1702(3) 0.0579(16) Uani 1 1 d D .
O15 O 1.5155(7) 0.57075(18) 0.1671(3) 0.0639(18) Uani 1 1 d D .
O16 O 1.5226(4) 0.58417(18) -0.0200(2) 0.0429(13) Uani 1 1 d D .
O17 O 1.3463(5) 0.53897(17) 0.0405(2) 0.0358(12) Uani 1 1 d D .
O18 O 1.3850(5) 0.52060(16) -0.0804(2) 0.0360(11) Uani 1 1 d D .
O1W O 0.3860(8) 0.7905(2) 0.2839(3) 0.087(2) Uani 1 1 d . .
O2W O 0.7895(6) 0.8941(2) 0.7728(3) 0.0638(17) Uani 1 1 d . .
O3W O 0.3544(8) 0.8707(3) 0.7971(3) 0.085(2) Uani 1 1 d . .
O4W O 0.7678(7) 0.7595(2) 0.8980(3) 0.079(2) Uani 1 1 d . .
O5W O 0.4034(9) 0.1828(4) 0.2010(4) 0.118(3) Uani 1 1 d . .
P1 P 1.13730(17) 0.95406(6) 0.04629(8) 0.0256(4) Uani 1 1 d D .
P2 P 1.05040(19) 0.84386(6) -0.10293(9) 0.0302(4) Uani 1 1 d D .
P3 P 1.22849(18) 0.81178(6) 0.11951(9) 0.0286(4) Uani 1 1 d D .
P4 P 1.4535(2) 0.71552(7) -0.03487(10) 0.0416(5) Uani 1 1 d D .
P5 P 1.54930(17) 0.62540(7) 0.16609(8) 0.0282(4) Uani 1 1 d D .
P6 P 1.38946(17) 0.55936(7) -0.02561(9) 0.0284(4) Uani 1 1 d D .
Zn1 Zn 0.95843(8) 1.03673(3) 0.10156(4) 0.0272(2) Uani 1 1 d . .
Zn2 Zn 0.98388(8) 0.84614(3) 0.04572(4) 0.0285(2) Uani 1 1 d . .
Zn3 Zn 1.33802(8) 0.82567(3) -0.02862(4) 0.0358(2) Uani 1 1 d . .
Zn4 Zn 1.32688(8) 0.70064(3) 0.11157(4) 0.0331(2) Uani 1 1 d . .
Zn5 Zn 1.63332(8) 0.63549(3) 0.01701(4) 0.0308(2) Uani 1 1 d . .
Zn6 Zn 1.46789(8) 0.51583(3) 0.11061(4) 0.0295(2) Uani 1 1 d . .
H6A H 1.302338 0.595595 -0.043147 0.035 Uiso 1 1 d DR U
H5A H 1.620480 0.634255 0.222767 0.035 Uiso 1 1 d DR U
H4A H 1.407878 0.689098 -0.088391 0.035 Uiso 1 1 d DR U
H3A H 1.232305 0.847115 0.167385 0.035 Uiso 1 1 d DR U
H2A H 1.023644 0.811941 -0.153735 0.035 Uiso 1 1 d DR U
H1A H 1.249154 0.931847 0.069447 0.035 Uiso 1 1 d DR U
C31 C 0.9433(19) 0.7985(8) 0.2523(9) 0.203(7) Uani 1 1 d D U
H31A H 1.003327 0.778450 0.278945 0.305 Uiso 1 1 calc R U
H31B H 0.958238 0.833455 0.261638 0.305 Uiso 1 1 calc R U
H31C H 0.956730 0.792089 0.206141 0.305 Uiso 1 1 calc R U
C32 C 0.770(2) 0.7326(7) 0.2481(9) 0.250(8) Uani 1 1 d D U
H32A H 0.792707 0.727243 0.202835 0.376 Uiso 1 1 calc R U
H32B H 0.677163 0.727534 0.252137 0.376 Uiso 1 1 calc R U
H32C H 0.817157 0.709240 0.276345 0.376 Uiso 1 1 calc R U
C33 C 0.682(2) 0.8055(6) 0.2983(6) 0.216(6) Uani 1 1 d D U
H33 H 0.603822 0.787876 0.302283 0.259 Uiso 1 1 calc R U
N13 N 0.8047(18) 0.7850(6) 0.2682(5) 0.216(5) Uani 1 1 d D U
O19 O 0.7001(14) 0.8472(5) 0.3158(6) 0.196(5) Uani 1 1 d D U
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'
P P 0.1023 0.0942 '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
C2 C1 N1 109.6(6) . .
C1 C2 N2 106.4(6) . .
N1 C3 N2 111.2(6) . .
C5 C4 N4 106.1(6) . .
C4 C5 N3 109.6(6) . .
N3 C6 N4 111.5(6) . .
C8 C7 N6 105.9(6) . .
C7 C8 N5 108.8(6) . .
N5 C9 N6 110.4(6) . .
C11 C10 C15 121.7(6) . .
C11 C10 N2 120.8(6) . .
C15 C10 N2 117.5(6) . .
C10 C11 C12 118.1(6) . .
C13 C12 C11 123.3(6) . .
C13 C12 N4 117.6(5) . .
C11 C12 N4 119.0(5) . .
C12 C13 C14 116.2(6) . .
C15 C14 C13 121.8(6) . .
C15 C14 N6 118.7(6) . .
C13 C14 N6 119.4(6) . .
C10 C15 C14 118.8(6) . .
N7 C16 C17 109.8(7) . .
C16 C17 N8 105.8(6) . .
N7 C18 N8 111.2(6) . .
C20 C19 N9 110.1(6) . .
C19 C20 N10 106.1(6) . .
N9 C21 N10 111.3(6) . .
C23 C22 N12 105.4(6) . .
C22 C23 N11 110.7(6) . .
N11 C24 N12 110.6(6) . .
C26 C25 C30 122.3(6) . .
C26 C25 N8 120.3(6) . .
C30 C25 N8 117.4(6) . .
C25 C26 C27 118.4(6) . .
C26 C27 C28 120.6(6) . .
C26 C27 N12 121.4(5) . .
C28 C27 N12 117.9(6) . .
C29 C28 C27 118.4(6) . .
C30 C29 C28 121.7(6) . .
C30 C29 N10 120.6(6) . .
C28 C29 N10 117.7(6) . .
C29 C30 C25 118.5(6) . .
C3 N1 C1 105.8(6) . .
C3 N1 Zn1 126.7(5) . .
C1 N1 Zn1 127.4(5) . .
C3 N2 C2 106.9(5) . .
C3 N2 C10 125.9(6) . .
C2 N2 C10 126.9(5) . .
C6 N3 C5 106.0(5) . .
C6 N3 Zn5 124.8(5) . 4_476
C5 N3 Zn5 127.8(4) . 4_476
C6 N4 C4 106.7(5) . .
C6 N4 C12 126.8(5) . .
C4 N4 C12 126.3(5) . .
C9 N5 C8 106.7(6) . .
C9 N5 Zn4 123.4(5) . 2_655
C8 N5 Zn4 128.9(5) . 2_655
C9 N6 C7 108.3(6) . .
C9 N6 C14 124.9(6) . .
C7 N6 C14 126.2(6) . .
C18 N7 C16 106.8(6) . .
C18 N7 Zn2 119.8(5) . .
C16 N7 Zn2 133.4(5) . .
C18 N8 C17 106.5(5) . .
C18 N8 C25 125.1(5) . .
C17 N8 C25 128.5(6) . .
C21 N9 C19 105.4(6) . .
C21 N9 Zn3 125.7(5) . 3_775
C19 N9 Zn3 127.4(5) . 3_775
C21 N10 C20 107.1(5) . .
C21 N10 C29 124.7(6) . .
C20 N10 C29 127.0(6) . .
C24 N11 C23 105.9(5) . .
C24 N11 Zn6 123.6(4) . 2_655
C23 N11 Zn6 130.5(4) . 2_655
C24 N12 C22 107.4(5) . .
C24 N12 C27 124.8(5) . .
C22 N12 C27 127.7(5) . .
P1 O1 Zn1 128.1(3) . .
P1 O2 Zn2 143.7(3) . .
P1 O3 Zn1 128.3(3) . 3_775
P2 O4 Zn2 127.2(3) . .
P2 O5 Zn3 143.7(3) . .
P2 O6 Zn1 133.8(3) . 3_775
P3 O7 Zn2 121.2(3) . .
P3 O8 Zn3 146.7(4) . .
P3 O9 Zn4 129.5(3) . .
P4 O10 Zn4 152.3(4) . .
P4 O11 Zn3 136.9(4) . .
P4 O12 Zn5 117.8(3) . .
P5 O13 Zn5 137.2(3) . .
P5 O14 Zn4 137.6(3) . .
P5 O15 Zn6 142.3(3) . .
P6 O16 Zn5 149.3(3) . .
P6 O17 Zn6 123.6(3) . .
P6 O18 Zn6 125.3(3) . 3_865
O2 P1 O1 111.1(3) . .
O2 P1 O3 113.9(3) . .
O1 P1 O3 112.5(3) . .
O5 P2 O4 114.2(3) . .
O5 P2 O6 111.5(3) . .
O4 P2 O6 113.6(3) . .
O8 P3 O7 111.3(3) . .
O8 P3 O9 114.1(3) . .
O7 P3 O9 113.2(3) . .
O11 P4 O10 116.3(3) . .
O11 P4 O12 112.1(3) . .
O10 P4 O12 112.4(3) . .
O15 P5 O14 112.9(4) . .
O15 P5 O13 113.0(3) . .
O14 P5 O13 113.8(3) . .
O18 P6 O16 110.8(3) . .
O18 P6 O17 113.3(3) . .
O16 P6 O17 112.3(3) . .
O1 Zn1 O3 112.5(2) . 3_775
O1 Zn1 O6 110.0(2) . 3_775
O3 Zn1 O6 113.0(2) 3_775 3_775
O1 Zn1 N1 104.5(2) . .
O3 Zn1 N1 108.2(2) 3_775 .
O6 Zn1 N1 108.2(2) 3_775 .
O7 Zn2 O2 114.4(2) . .
O7 Zn2 O4 113.0(2) . .
O2 Zn2 O4 113.1(2) . .
O7 Zn2 N7 104.6(2) . .
O2 Zn2 N7 100.2(2) . .
O4 Zn2 N7 110.2(2) . .
O8 Zn3 O11 119.8(2) . .
O8 Zn3 O5 113.7(2) . .
O11 Zn3 O5 114.7(3) . .
O8 Zn3 N9 104.4(2) . 3_775
O11 Zn3 N9 99.4(2) . 3_775
O5 Zn3 N9 100.9(2) . 3_775
O10 Zn4 O14 114.8(2) . .
O10 Zn4 O9 116.6(2) . .
O14 Zn4 O9 111.8(2) . .
O10 Zn4 N5 104.0(3) . 2_645
O14 Zn4 N5 101.9(2) . 2_645
O9 Zn4 N5 105.9(2) . 2_645
O13 Zn5 O16 114.8(2) . .
O13 Zn5 O12 114.4(2) . .
O16 Zn5 O12 110.0(2) . .
O13 Zn5 N3 111.4(2) . 4_775
O16 Zn5 N3 102.5(2) . 4_775
O12 Zn5 N3 102.5(2) . 4_775
O18 Zn6 O15 113.3(3) 3_865 .
O18 Zn6 O17 114.61(19) 3_865 .
O15 Zn6 O17 109.5(2) . .
O18 Zn6 N11 109.8(2) 3_865 2_645
O15 Zn6 N11 105.1(2) . 2_645
O17 Zn6 N11 103.7(2) . 2_645
O19 C33 N13 109.7(18) . .
C32 N13 C31 112.4(18) . .
C32 N13 C33 104.8(16) . .
C31 N13 C33 142.8(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.337(9) .
C1 N1 1.378(9) .
C2 N2 1.359(9) .
C3 N1 1.294(8) .
C3 N2 1.354(8) .
C4 C5 1.346(9) .
C4 N4 1.373(8) .
C5 N3 1.374(9) .
C6 N3 1.298(8) .
C6 N4 1.350(8) .
C7 C8 1.347(10) .
C7 N6 1.359(8) .
C8 N5 1.377(9) .
C9 N5 1.299(8) .
C9 N6 1.335(9) .
C10 C11 1.372(8) .
C10 C15 1.377(9) .
C10 N2 1.414(8) .
C11 C12 1.386(8) .
C12 C13 1.378(9) .
C12 N4 1.449(8) .
C13 C14 1.409(8) .
C14 C15 1.384(9) .
C14 N6 1.424(8) .
C16 N7 1.338(9) .
C16 C17 1.357(10) .
C17 N8 1.374(8) .
C18 N7 1.306(8) .
C18 N8 1.342(8) .
C19 C20 1.332(9) .
C19 N9 1.358(8) .
C20 N10 1.372(8) .
C21 N9 1.317(8) .
C21 N10 1.321(8) .
C22 C23 1.341(9) .
C22 N12 1.390(8) .
C23 N11 1.387(8) .
C24 N11 1.312(8) .
C24 N12 1.362(8) .
C25 C26 1.376(9) .
C25 C30 1.378(9) .
C25 N8 1.415(8) .
C26 C27 1.390(9) .
C27 C28 1.399(9) .
C27 N12 1.417(8) .
C28 C29 1.387(9) .
C29 C30 1.370(9) .
C29 N10 1.421(8) .
N1 Zn1 2.022(6) .
N3 Zn5 2.012(5) 4_476
N5 Zn4 1.991(6) 2_655
N7 Zn2 2.009(5) .
N9 Zn3 1.999(5) 3_775
N11 Zn6 2.029(5) 2_655
O1 P1 1.513(4) .
O1 Zn1 1.916(4) .
O2 P1 1.503(5) .
O2 Zn2 1.931(4) .
O3 P1 1.523(5) .
O3 Zn1 1.928(5) 3_775
O4 P2 1.515(5) .
O4 Zn2 1.935(4) .
O5 P2 1.497(5) .
O5 Zn3 1.949(5) .
O6 P2 1.517(5) .
O6 Zn1 1.930(4) 3_775
O7 P3 1.506(5) .
O7 Zn2 1.926(5) .
O8 P3 1.485(5) .
O8 Zn3 1.900(5) .
O9 P3 1.507(5) .
O9 Zn4 1.942(4) .
O10 P4 1.487(5) .
O10 Zn4 1.896(5) .
O11 P4 1.485(5) .
O11 Zn3 1.907(5) .
O12 P4 1.521(5) .
O12 Zn5 1.940(5) .
O13 P5 1.498(5) .
O13 Zn5 1.897(4) .
O14 P5 1.496(5) .
O14 Zn4 1.918(5) .
O15 P5 1.493(5) .
O15 Zn6 1.903(5) .
O16 P6 1.509(5) .
O16 Zn5 1.905(5) .
O17 P6 1.517(4) .
O17 Zn6 1.945(4) .
O18 P6 1.510(4) .
O18 Zn6 1.903(4) 3_865
C31 N13 1.502(9) .
C32 N13 1.489(9) .
C33 O19 1.174(10) .
C33 N13 1.511(10) .
