#------------------------------------------------------------------------------
#$Date: 2019-11-24 10:54:01 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237698 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/74/7237483.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_7237483
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            'C34 H49 N13 O24 P6 Zn6'
_chemical_formula_weight         1601.90
_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                 92.010(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1955(8)
_cell_length_b                   26.678(2)
_cell_length_c                   20.1328(15)
_cell_measurement_reflns_used    2900
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.0120
_cell_measurement_theta_min      2.7560
_cell_volume                     5472.7(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 (ROW)'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_unetI/netI     0.0793
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20617
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.007
_diffrn_reflns_theta_max         25.007
_diffrn_reflns_theta_min         2.536
_exptl_absorpt_coefficient_mu    2.856
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_description       sheet
_exptl_crystal_F_000             3224
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.357
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         9622
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0726P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1334
_refine_ls_wR_factor_ref         0.1540
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6353
_reflns_number_total             9622
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8tc03583k2.cif
_cod_data_source_block           2
_cod_original_cell_volume        5472.6(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7237483
_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 0.2826(7) 1.0200(3) 0.2145(3) 0.0349(17) Uani 1 1 d . .
H1 H 0.241986 1.050865 0.207440 0.042 Uiso 1 1 calc R U
C2 C 0.4091(7) 0.9572(3) 0.2064(3) 0.0396(19) Uani 1 1 d . .
H2 H 0.474612 0.936347 0.191194 0.047 Uiso 1 1 calc R U
C3 C 0.3340(7) 0.9475(3) 0.2585(3) 0.0388(18) Uani 1 1 d . .
H3 H 0.337132 0.919117 0.285363 0.047 Uiso 1 1 calc R U
C4 C -0.1379(7) 1.1183(3) 0.3914(4) 0.0396(18) Uani 1 1 d . .
H4 H -0.206022 1.096307 0.399928 0.047 Uiso 1 1 calc R U
C5 C 0.0529(7) 1.1473(3) 0.3694(4) 0.0413(19) Uani 1 1 d . .
H5 H 0.140861 1.149768 0.359058 0.050 Uiso 1 1 calc R U
C6 C -0.0312(7) 1.1855(3) 0.3759(4) 0.0419(19) Uani 1 1 d . .
H6 H -0.010813 1.219330 0.372398 0.050 Uiso 1 1 calc R U
C7 C -0.1595(6) 0.9275(3) 0.4602(3) 0.0320(16) Uani 1 1 d . .
H7 H -0.208350 0.956443 0.466664 0.038 Uiso 1 1 calc R U
C8 C -0.0037(7) 0.8768(3) 0.4294(4) 0.0391(18) Uani 1 1 d . .
H8 H 0.071843 0.864120 0.410913 0.047 Uiso 1 1 calc R U
C9 C -0.0933(7) 0.8511(3) 0.4626(4) 0.0443(19) Uani 1 1 d . .
H9 H -0.089302 0.816908 0.471665 0.053 Uiso 1 1 calc R U
C10 C 0.1584(6) 0.9965(3) 0.3129(3) 0.0283(15) Uani 1 1 d . .
C11 C 0.1217(6) 1.0450(3) 0.3252(3) 0.0344(17) Uani 1 1 d . .
H11 H 0.159459 1.071463 0.302628 0.041 Uiso 1 1 calc R U
C12 C 0.0279(6) 1.0539(3) 0.3715(3) 0.0298(15) Uani 1 1 d . .
C13 C -0.0256(6) 1.0155(3) 0.4077(3) 0.0294(15) Uani 1 1 d . .
H13 H -0.085267 1.022082 0.440464 0.035 Uiso 1 1 calc R U
C14 C 0.0124(6) 0.9666(3) 0.3935(3) 0.0290(16) Uani 1 1 d . .
C15 C 0.1051(6) 0.9561(3) 0.3459(3) 0.0271(15) Uani 1 1 d . .
H15 H 0.130023 0.923331 0.336731 0.032 Uiso 1 1 calc R U
C16 C 0.9371(6) 0.9254(3) -0.0662(3) 0.0337(17) Uani 1 1 d . .
H16 H 0.852933 0.938967 -0.067893 0.040 Uiso 1 1 calc R U
C17 C 1.0983(6) 0.8759(3) -0.0508(3) 0.0344(17) Uani 1 1 d . .
H17 H 1.147217 0.847656 -0.039116 0.041 Uiso 1 1 calc R U
C18 C 1.1475(7) 0.9177(3) -0.0754(3) 0.0349(17) Uani 1 1 d . .
H18 H 1.234896 0.923940 -0.084297 0.042 Uiso 1 1 calc R U
C19 C 1.2780(7) 1.0124(3) -0.2879(3) 0.0323(16) Uani 1 1 d . .
H19 H 1.267803 0.978787 -0.276857 0.039 Uiso 1 1 calc R U
C20 C 1.3423(7) 1.0806(3) -0.3337(3) 0.0344(17) Uani 1 1 d . .
H20 H 1.386446 1.102242 -0.361318 0.041 Uiso 1 1 calc R U
C21 C 1.2559(7) 1.0951(3) -0.2895(3) 0.0344(17) Uani 1 1 d . .
H21 H 1.229791 1.127686 -0.280297 0.041 Uiso 1 1 calc R U
C22 C 0.7548(6) 1.1099(3) -0.0950(3) 0.0334(17) Uani 1 1 d . .
H22 H 0.718366 1.078502 -0.087647 0.040 Uiso 1 1 calc R U
C23 C 0.8915(7) 1.1678(3) -0.1237(4) 0.0409(19) Uani 1 1 d . .
H23 H 0.964620 1.184269 -0.139453 0.049 Uiso 1 1 calc R U
C24 C 0.7832(7) 1.1890(3) -0.1000(4) 0.0441(19) Uani 1 1 d . .
H24 H 0.769560 1.223370 -0.096317 0.053 Uiso 1 1 calc R U
C25 C 1.0408(6) 0.9964(3) -0.1202(3) 0.0328(17) Uani 1 1 d . .
C26 C 1.1235(6) 1.0009(3) -0.1731(3) 0.0273(15) Uani 1 1 d . .
H26 H 1.177850 0.974620 -0.184964 0.033 Uiso 1 1 calc R U
C27 C 1.1227(6) 1.0456(3) -0.2075(3) 0.0298(16) Uani 1 1 d . .
C28 C 1.0399(6) 1.0843(3) -0.1916(3) 0.0285(15) Uani 1 1 d . .
H28 H 1.038421 1.113849 -0.216069 0.034 Uiso 1 1 calc R U
C29 C 0.9595(6) 1.0782(2) -0.1388(3) 0.0248(14) Uani 1 1 d . .
C30 C 0.9609(6) 1.0343(3) -0.1016(3) 0.0278(16) Uani 1 1 d . .
H30 H 0.908547 1.030927 -0.065006 0.033 Uiso 1 1 calc R U
N1 N 0.3744(5) 1.0026(2) 0.1791(3) 0.0336(14) Uani 1 1 d . .
N2 N 0.2525(5) 0.9876(2) 0.2638(2) 0.0300(13) Uani 1 1 d . .
N3 N -0.1514(6) 1.1663(2) 0.3886(3) 0.0403(15) Uani 1 1 d . .
N4 N -0.0148(5) 1.1038(2) 0.3807(3) 0.0327(14) Uani 1 1 d . .
N5 N -0.1920(5) 0.8827(2) 0.4812(3) 0.0336(14) Uani 1 1 d . .
N6 N -0.0464(5) 0.9260(2) 0.4281(3) 0.0294(13) Uani 1 1 d . .
N7 N 0.9642(5) 0.8804(2) -0.0449(3) 0.0342(14) Uani 1 1 d . .
N8 N 1.0427(5) 0.9500(2) -0.0854(2) 0.0285(13) Uani 1 1 d . .
N9 N 1.3577(5) 1.0294(2) -0.3331(3) 0.0331(14) Uani 1 1 d . .
N10 N 1.2130(5) 1.0511(2) -0.2600(2) 0.0286(13) Uani 1 1 d . .
N11 N 0.6956(5) 1.1529(2) -0.0819(3) 0.0366(14) Uani 1 1 d . .
N12 N 0.8726(5) 1.1169(2) -0.1201(3) 0.0315(13) Uani 1 1 d . .
O1 O 0.6180(4) 0.99982(16) 0.0886(2) 0.0307(11) Uani 1 1 d D .
O2 O 0.5281(4) 0.91638(19) 0.0536(2) 0.0434(13) Uani 1 1 d D .
O3 O 0.6618(4) 0.96782(19) -0.0261(2) 0.0362(12) Uani 1 1 d D .
O4 O 0.4726(5) 0.8234(2) -0.0453(2) 0.0484(14) Uani 1 1 d D .
O5 O 0.6945(5) 0.8441(2) -0.0916(3) 0.0515(14) Uani 1 1 d D .
O6 O 0.5002(5) 0.89506(17) -0.1258(2) 0.0458(13) Uani 1 1 d D .
O7 O 0.5835(5) 0.8022(2) 0.1029(3) 0.0569(16) Uani 1 1 d D .
O8 O 0.7947(5) 0.8332(2) 0.0617(2) 0.0532(15) Uani 1 1 d D .
O9 O 0.7956(5) 0.76651(17) 0.1492(2) 0.0412(12) Uani 1 1 d D .
O10 O 0.9356(5) 0.76883(19) -0.0553(3) 0.0633(17) Uani 1 1 d D .
O11 O 0.8702(6) 0.6979(2) 0.0199(2) 0.0648(17) Uani 1 1 d D .
O12 O 1.0940(5) 0.6989(2) -0.0283(3) 0.0533(15) Uani 1 1 d D .
O13 O 0.9292(5) 0.6585(2) 0.1691(3) 0.0591(17) Uani 1 1 d D .
O14 O 1.0175(7) 0.5718(2) 0.1671(3) 0.0685(18) Uani 1 1 d D .
O15 O 1.1357(5) 0.6400(2) 0.1096(2) 0.0536(16) Uani 1 1 d D .
O16 O 1.0204(4) 0.5831(2) -0.0212(2) 0.0469(14) Uani 1 1 d D .
O17 O 0.8459(4) 0.53869(18) 0.0401(2) 0.0373(12) Uani 1 1 d D .
O18 O 0.8846(4) 0.52011(18) -0.0802(2) 0.0386(12) Uani 1 1 d D .
P1 P 0.63788(16) 0.95414(7) 0.04607(8) 0.0276(4) Uani 1 1 d D .
H1A H 0.748536 0.931289 0.068931 0.033 Uiso 1 1 d DR U
P2 P 0.54811(18) 0.84428(7) -0.10299(8) 0.0320(4) Uani 1 1 d D .
H2A H 0.521183 0.812628 -0.153815 0.038 Uiso 1 1 d DR U
P3 P 0.72752(17) 0.81144(7) 0.11877(9) 0.0302(4) Uani 1 1 d D .
H3A H 0.727972 0.846463 0.167216 0.036 Uiso 1 1 d DR U
P4 P 0.9498(2) 0.71524(8) -0.03579(11) 0.0452(5) Uani 1 1 d D .
H4A H 0.907088 0.688439 -0.089287 0.054 Uiso 1 1 d DR U
P5 P 1.04860(17) 0.62592(7) 0.16500(8) 0.0309(4) Uani 1 1 d D .
H5A H 1.119874 0.635992 0.221264 0.037 Uiso 1 1 d DR U
P6 P 0.88829(17) 0.55884(7) -0.02582(8) 0.0302(4) Uani 1 1 d D .
H6A H 0.800733 0.594664 -0.043912 0.036 Uiso 1 1 d DR U
Zn1 Zn 0.45903(7) 1.03641(3) 0.10145(4) 0.0296(2) Uani 1 1 d . .
Zn2 Zn 0.48312(7) 0.84645(3) 0.04548(4) 0.0306(2) Uani 1 1 d . .
Zn3 Zn 0.83605(8) 0.82550(3) -0.02941(4) 0.0373(2) Uani 1 1 d . .
Zn4 Zn 0.82497(8) 0.70057(3) 0.11102(4) 0.0359(2) Uani 1 1 d . .
Zn5 Zn 1.13127(7) 0.63550(3) 0.01557(4) 0.0332(2) Uani 1 1 d . .
Zn6 Zn 0.96846(7) 0.51635(3) 0.11061(4) 0.0316(2) Uani 1 1 d . .
O1W O 0.2901(6) 0.8940(2) 0.7729(3) 0.0680(18) Uani 1 1 d . .
O5W O 0.3514(8) 0.6298(3) 0.2951(3) 0.095(2) Uani 1 1 d . .
O3W O 0.2668(8) 0.7593(3) 0.8973(4) 0.095(2) Uani 1 1 d . .
O2W O 0.0971(8) 0.8190(4) 0.7963(4) 0.121(3) Uani 1 1 d . .
O19 O 0.1909(12) 0.8448(5) 0.3036(5) 0.197(5) Uani 1 1 d D U
C33 C 0.193(2) 0.8018(5) 0.2880(5) 0.268(6) Uani 1 1 d D U
C31 C 0.4267(13) 0.8108(9) 0.2573(9) 0.276(8) Uani 1 1 d D U
H31A H 0.450000 0.813001 0.211638 0.414 Uiso 1 1 calc R U
H31B H 0.498538 0.796680 0.283154 0.414 Uiso 1 1 calc R U
H31C H 0.407666 0.843728 0.273706 0.414 Uiso 1 1 calc R U
N13 N 0.311(2) 0.7789(6) 0.2627(6) 0.282(6) Uani 1 1 d D U
C34 C 0.0686(16) 0.7759(10) 0.2966(9) 0.302(9) Uani 1 1 d D U
H34A H 0.062110 0.766127 0.342258 0.453 Uiso 1 1 calc R U
H34B H 0.064848 0.746667 0.268847 0.453 Uiso 1 1 calc R U
H34C H -0.002757 0.797910 0.284433 0.453 Uiso 1 1 calc R U
C32 C 0.298(2) 0.7250(6) 0.2453(9) 0.331(9) Uani 1 1 d D U
H32A H 0.211692 0.718740 0.226646 0.497 Uiso 1 1 calc R U
H32B H 0.312009 0.705066 0.284617 0.497 Uiso 1 1 calc R U
H32C H 0.362197 0.716412 0.213453 0.497 Uiso 1 1 calc R U
O4W O 0.8771(12) 0.7874(4) 0.2826(4) 0.141(4) 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'
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
N1 C1 N2 111.3(7) . .
C3 C2 N1 109.8(7) . .
C2 C3 N2 105.9(7) . .
N3 C4 N4 112.4(7) . .
C6 C5 N4 107.4(6) . .
C5 C6 N3 108.4(7) . .
N5 C7 N6 110.9(6) . .
C9 C8 N6 106.0(6) . .
C8 C9 N5 109.9(7) . .
C11 C10 C15 122.2(6) . .
C11 C10 N2 118.5(6) . .
C15 C10 N2 119.3(6) . .
C10 C11 C12 119.0(6) . .
C11 C12 C13 121.6(7) . .
C11 C12 N4 118.4(6) . .
C13 C12 N4 120.0(6) . .
C12 C13 C14 118.0(6) . .
C13 C14 C15 121.9(6) . .
C13 C14 N6 119.0(6) . .
C15 C14 N6 119.1(6) . .
C10 C15 C14 117.2(6) . .
N7 C16 N8 112.6(6) . .
C18 C17 N7 110.4(6) . .
C17 C18 N8 106.1(6) . .
N9 C19 N10 110.2(6) . .
C21 C20 N9 111.3(6) . .
C20 C21 N10 105.3(6) . .
N11 C22 N12 112.0(7) . .
C24 C23 N12 106.1(6) . .
C23 C24 N11 110.5(7) . .
C30 C25 C26 122.2(7) . .
C30 C25 N8 120.7(6) . .
C26 C25 N8 117.1(6) . .
C27 C26 C25 117.9(7) . .
C26 C27 C28 121.6(6) . .
C26 C27 N10 117.7(6) . .
C28 C27 N10 120.7(6) . .
C29 C28 C27 118.6(6) . .
C28 C29 C30 121.4(6) . .
C28 C29 N12 120.9(6) . .
C30 C29 N12 117.7(6) . .
C25 C30 C29 118.3(6) . .
C1 N1 C2 106.2(6) . .
C1 N1 Zn1 127.4(5) . .
C2 N1 Zn1 126.4(4) . .
C1 N2 C3 106.8(6) . .
C1 N2 C10 125.3(6) . .
C3 N2 C10 127.9(6) . .
C4 N3 C6 106.6(6) . .
C4 N3 Zn4 123.3(5) . 2
C6 N3 Zn4 129.4(5) . 2
C4 N4 C5 105.2(6) . .
C4 N4 C12 126.1(6) . .
C5 N4 C12 127.8(6) . .
C7 N5 C9 105.9(6) . .
C7 N5 Zn5 124.7(5) . 4_476
C9 N5 Zn5 128.3(5) . 4_476
C7 N6 C8 107.2(6) . .
C7 N6 C14 126.3(6) . .
C8 N6 C14 126.2(6) . .
C16 N7 C17 104.5(6) . .
C16 N7 Zn3 126.6(5) . .
C17 N7 Zn3 127.4(5) . .
C16 N8 C18 106.3(6) . .
C16 N8 C25 125.1(6) . .
C18 N8 C25 127.7(6) . .
C19 N9 C20 105.8(6) . .
C19 N9 Zn6 123.0(5) . 4_675
C20 N9 Zn6 131.1(4) . 4_675
C19 N10 C21 107.4(5) . .
C19 N10 C27 124.3(6) . .
C21 N10 C27 128.3(6) . .
C22 N11 C24 104.4(6) . .
C22 N11 Zn2 120.6(5) . 3_675
C24 N11 Zn2 134.9(5) . 3_675
C22 N12 C23 106.9(6) . .
C22 N12 C29 125.2(6) . .
C23 N12 C29 127.9(6) . .
P1 O1 Zn1 128.3(3) . .
P1 O2 Zn2 144.0(3) . .
P1 O3 Zn1 128.1(3) . 3_675
P2 O4 Zn2 126.5(3) . .
P2 O5 Zn3 144.3(3) . .
P2 O6 Zn1 135.1(3) . 3_675
P3 O7 Zn2 121.3(3) . .
P3 O8 Zn3 146.1(4) . .
P3 O9 Zn4 129.4(3) . .
P4 O10 Zn3 137.6(4) . .
P4 O11 Zn4 150.8(4) . .
P4 O12 Zn5 117.6(3) . .
P5 O13 Zn4 137.7(3) . .
P5 O14 Zn6 141.8(3) . .
P5 O15 Zn5 137.2(3) . .
P6 O16 Zn5 148.5(3) . .
P6 O17 Zn6 123.5(3) . .
P6 O18 Zn6 125.8(3) . 3_765
O1 P1 O2 111.5(3) . .
O1 P1 O3 112.1(3) . .
O2 P1 O3 113.4(3) . .
O5 P2 O6 111.1(3) . .
O5 P2 O4 114.1(3) . .
O6 P2 O4 113.2(3) . .
O8 P3 O9 114.2(3) . .
O8 P3 O7 111.9(3) . .
O9 P3 O7 112.7(3) . .
O11 P4 O10 116.7(4) . .
O11 P4 O12 112.7(3) . .
O10 P4 O12 112.5(3) . .
O14 P5 O15 113.5(4) . .
O14 P5 O13 112.8(4) . .
O15 P5 O13 113.5(3) . .
O16 P6 O18 110.0(3) . .
O16 P6 O17 112.6(3) . .
O18 P6 O17 113.2(3) . .
O1 Zn1 O3 112.63(19) . 3_675
O1 Zn1 O6 109.9(2) . 3_675
O3 Zn1 O6 112.4(2) 3_675 3_675
O1 Zn1 N1 105.2(2) . .
O3 Zn1 N1 107.7(2) 3_675 .
O6 Zn1 N1 108.6(2) 3_675 .
O7 Zn2 O4 112.7(2) . .
O7 Zn2 O2 115.1(2) . .
O4 Zn2 O2 113.2(2) . .
O7 Zn2 N11 105.0(2) . 3_675
O4 Zn2 N11 109.3(2) . 3_675
O2 Zn2 N11 100.4(2) . 3_675
O10 Zn3 O8 119.1(2) . .
O10 Zn3 O5 114.7(3) . .
O8 Zn3 O5 114.1(2) . .
O10 Zn3 N7 100.5(2) . .
O8 Zn3 N7 103.9(2) . .
O5 Zn3 N7 100.9(2) . .
O11 Zn4 O13 114.7(2) . .
O11 Zn4 O9 117.3(2) . .
O13 Zn4 O9 112.3(2) . .
O11 Zn4 N3 103.4(3) . 2_545
O13 Zn4 N3 101.7(3) . 2_545
O9 Zn4 N3 105.3(2) . 2_545
O15 Zn5 O16 115.0(2) . .
O15 Zn5 O12 113.4(3) . .
O16 Zn5 O12 110.7(2) . .
O15 Zn5 N5 111.6(2) . 4_775
O16 Zn5 N5 102.3(2) . 4_775
O12 Zn5 N5 102.5(2) . 4_775
O18 Zn6 O14 113.1(3) 3_765 .
O18 Zn6 O17 114.38(19) 3_765 .
O14 Zn6 O17 110.0(2) . .
O18 Zn6 N9 109.3(2) 3_765 4_576
O14 Zn6 N9 105.6(2) . 4_576
O17 Zn6 N9 103.6(2) . 4_576
O19 C33 C34 114(2) . .
O19 C33 N13 121.1(14) . .
C34 C33 N13 125.0(13) . .
C31 N13 C33 117.4(13) . .
C31 N13 C32 128(2) . .
C33 N13 C32 114.9(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.284(8) .
C1 N2 1.359(8) .
C2 C3 1.345(9) .
C2 N1 1.371(9) .
C3 N2 1.363(9) .
C4 N3 1.289(9) .
C4 N4 1.338(8) .
C5 C6 1.342(10) .
C5 N4 1.373(9) .
C6 N3 1.360(9) .
C7 N5 1.316(9) .
C7 N6 1.342(8) .
C8 C9 1.340(10) .
C8 N6 1.383(9) .
C9 N5 1.375(9) .
C10 C11 1.372(10) .
C10 C15 1.387(9) .
C10 N2 1.421(8) .
C11 C12 1.379(9) .
C12 C13 1.381(9) .
C12 N4 1.414(9) .
C13 C14 1.393(9) .
C14 C15 1.398(9) .
C14 N6 1.432(8) .
C16 N7 1.304(9) .
C16 N8 1.329(8) .
C17 C18 1.324(10) .
C17 N7 1.382(8) .
C18 N8 1.382(8) .
C19 N9 1.321(8) .
C19 N10 1.359(8) .
C20 C21 1.331(9) .
C20 N9 1.375(9) .
C21 N10 1.394(8) .
C22 N11 1.329(9) .
C22 N12 1.331(8) .
C23 C24 1.344(10) .
C23 N12 1.373(9) .
C24 N11 1.371(9) .
C25 C30 1.359(9) .
C25 C26 1.387(9) .
C25 N8 1.422(9) .
C26 C27 1.380(9) .
C27 C28 1.377(9) .
C27 N10 1.433(8) .
C28 C29 1.375(9) .
C29 C30 1.390(9) .
C29 N12 1.421(8) .
N1 Zn1 2.023(5) .
N3 Zn4 1.991(6) 2
N5 Zn5 2.011(5) 4_476
N7 Zn3 1.994(6) .
N9 Zn6 2.033(5) 4_675
N11 Zn2 1.988(6) 3_675
O1 P1 1.508(4) .
O1 Zn1 1.917(4) .
O2 P1 1.517(5) .
O2 Zn2 1.927(5) .
O3 P1 1.525(4) .
O3 Zn1 1.924(4) 3_675
O4 P2 1.522(5) .
O4 Zn2 1.927(5) .
O5 P2 1.502(5) .
O5 Zn3 1.941(5) .
O6 P2 1.506(5) .
O6 Zn1 1.934(5) 3_675
O7 P3 1.512(5) .
O7 Zn2 1.923(5) .
O8 P3 1.477(5) .
O8 Zn3 1.908(5) .
O9 P3 1.505(5) .
O9 Zn4 1.947(5) .
O10 P4 1.488(5) .
O10 Zn3 1.904(5) .
O11 P4 1.480(5) .
O11 Zn4 1.909(5) .
O12 P4 1.536(5) .
O12 Zn5 1.939(5) .
O13 P5 1.500(5) .
O13 Zn4 1.915(5) .
O14 P5 1.480(5) .
O14 Zn6 1.921(5) .
O15 P5 1.497(5) .
O15 Zn5 1.896(4) .
O16 P6 1.495(5) .
O16 Zn5 1.929(5) .
O17 P6 1.510(4) .
O17 Zn6 1.951(4) .
O18 P6 1.505(5) .
O18 Zn6 1.905(4) 3_765
O19 C33 1.188(9) .
C33 C34 1.456(10) .
C33 N13 1.459(10) .
C31 N13 1.464(10) .
N13 C32 1.483(10) .
