#------------------------------------------------------------------------------
#$Date: 2019-11-24 10:36:59 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237661 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/74/7237424.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_7237424
loop_
_publ_author_name
'Ma, Yu-Juan'
'Han, Song-De'
'Pan, Jie'
'Mu, Ying'
'Li, Jin-Hua'
'Wang, Guo-Ming'
_publ_section_title
;
 An inorganic--organic hybrid framework from the assembly of an
 electron-rich diphosphonate and electron-deficient tripyridyl moiety
;
_journal_issue                   35
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9341
_journal_paper_doi               10.1039/C8TC02903B
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C40 H36 N12 O16 P4 Zn3'
_chemical_formula_weight         1260.80
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-07-23 deposited with the CCDC.
2018-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                105.651(4)
_cell_angle_beta                 108.779(5)
_cell_angle_gamma                100.702(4)
_cell_formula_units_Z            2
_cell_length_a                   10.9701(7)
_cell_length_b                   14.1004(6)
_cell_length_c                   16.9569(8)
_cell_measurement_reflns_used    4196
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.7650
_cell_measurement_theta_min      2.6170
_cell_volume                     2281.9(2)
_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  0.0325
_diffrn_reflns_av_unetI/netI     0.0654
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13191
_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         2.601
_exptl_absorpt_coefficient_mu    1.793
_exptl_absorpt_correction_T_max  0.792
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.16b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_description       rod-shape
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.828
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         8039
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0411
_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)+(0.0502P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1092
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6012
_reflns_number_total             8039
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8tc02903b3.cif
_cod_data_source_block           1
_cod_database_code               7237424
_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, -y, -z'
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
Zn1 Zn 0.99586(5) 0.88622(4) 0.40951(3) 0.02131(13) Uani 1 1 d . .
Zn2 Zn 0.51550(5) 0.62003(4) 0.43714(3) 0.01864(13) Uani 1 1 d . .
Zn3 Zn 0.91175(5) 0.62122(4) 0.58859(3) 0.01834(13) Uani 1 1 d . .
P1 P 0.77531(11) 0.98298(8) 0.40180(8) 0.0204(3) Uani 1 1 d D .
P2 P 0.72804(11) 0.76244(8) 0.40357(7) 0.0190(2) Uani 1 1 d . .
P3 P 0.85089(11) 0.48205(8) 0.37981(7) 0.0162(2) Uani 1 1 d . .
P4 P 0.63432(11) 0.44534(8) 0.45429(7) 0.0164(2) Uani 1 1 d . .
C1 C 0.6495(4) 0.8612(3) 0.3727(3) 0.0207(9) Uani 1 1 d . .
C2 C 0.5499(5) 0.8801(4) 0.4133(4) 0.0347(12) Uani 1 1 d . .
H2A H 0.505464 0.925573 0.390831 0.052 Uiso 1 1 calc R U
H2B H 0.595909 0.911099 0.476848 0.052 Uiso 1 1 calc R U
H2C H 0.484171 0.815726 0.398178 0.052 Uiso 1 1 calc R U
C3 C 0.7303(4) 0.3872(3) 0.3954(3) 0.0166(9) Uani 1 1 d D .
C4 C 0.6368(4) 0.3044(3) 0.3055(3) 0.0299(11) Uani 1 1 d D .
H4A H 0.689401 0.272124 0.277630 0.045 Uiso 1 1 calc R U
H4B H 0.585646 0.335505 0.268098 0.045 Uiso 1 1 calc R U
H4C H 0.576296 0.253463 0.314258 0.045 Uiso 1 1 calc R U
C5 C 0.9284(5) 0.7565(4) 0.2275(3) 0.0408(14) Uani 1 1 d . .
H5 H 0.842112 0.752111 0.226191 0.049 Uiso 1 1 calc R U
C6 C 0.9409(5) 0.7098(4) 0.1491(3) 0.0339(12) Uani 1 1 d . .
H6 H 0.865091 0.675225 0.096384 0.041 Uiso 1 1 calc R U
C7 C 1.0674(4) 0.7157(3) 0.1509(3) 0.0207(9) Uani 1 1 d . .
C8 C 1.1773(4) 0.7679(3) 0.2308(3) 0.0237(10) Uani 1 1 d . .
H8 H 1.264470 0.772151 0.233943 0.028 Uiso 1 1 calc R U
C9 C 1.1555(4) 0.8135(3) 0.3055(3) 0.0233(10) Uani 1 1 d . .
H9 H 1.229852 0.850190 0.358765 0.028 Uiso 1 1 calc R U
C10 C 1.0851(4) 0.6660(3) 0.0674(3) 0.0206(9) Uani 1 1 d . .
C11 C 1.2170(4) 0.6239(3) -0.0048(3) 0.0221(10) Uani 1 1 d . .
C12 C 1.3529(4) 0.6251(3) -0.0044(3) 0.0228(10) Uani 1 1 d . .
C13 C 1.4577(5) 0.6366(4) 0.0716(3) 0.0306(11) Uani 1 1 d . .
H13 H 1.446245 0.647200 0.124951 0.037 Uiso 1 1 calc R U
C14 C 1.5799(5) 0.6324(4) 0.0680(4) 0.0382(13) Uani 1 1 d . .
H14 H 1.648447 0.636450 0.119425 0.046 Uiso 1 1 calc R U
C15 C 1.5033(5) 0.6111(4) -0.0784(4) 0.0394(13) Uani 1 1 d . .
H15 H 1.519055 0.603351 -0.130160 0.047 Uiso 1 1 calc R U
C16 C 1.3755(5) 0.6098(4) -0.0824(3) 0.0323(11) Uani 1 1 d . .
H16 H 1.306017 0.598903 -0.135977 0.039 Uiso 1 1 calc R U
C17 C 0.9929(4) 0.5750(3) -0.0795(3) 0.0204(9) Uani 1 1 d . .
C18 C 0.8734(4) 0.5191(3) -0.1636(3) 0.0177(9) Uani 1 1 d . .
C19 C 0.7437(4) 0.5092(3) -0.1651(3) 0.0241(10) Uani 1 1 d . .
H19 H 0.730982 0.537893 -0.113260 0.029 Uiso 1 1 calc R U
C20 C 0.6364(5) 0.4569(4) -0.2437(3) 0.0265(10) Uani 1 1 d . .
H20 H 0.550277 0.451270 -0.244221 0.032 Uiso 1 1 calc R U
C21 C 0.7734(4) 0.4224(3) -0.3190(3) 0.0217(9) Uani 1 1 d . .
H21 H 0.783342 0.392969 -0.371784 0.026 Uiso 1 1 calc R U
C22 C 0.8867(4) 0.4737(3) -0.2424(3) 0.0229(10) Uani 1 1 d . .
H22 H 0.971809 0.478108 -0.243376 0.027 Uiso 1 1 calc R U
C23 C 0.7697(4) 0.6935(3) 0.7116(3) 0.0253(10) Uani 1 1 d . .
H23 H 0.692236 0.660909 0.659623 0.030 Uiso 1 1 calc R U
C24 C 0.7582(4) 0.7422(3) 0.7890(3) 0.0263(10) Uani 1 1 d . .
H24 H 0.673765 0.743509 0.788946 0.032 Uiso 1 1 calc R U
C25 C 0.8711(4) 0.7892(3) 0.8671(3) 0.0211(10) Uani 1 1 d . .
C26 C 0.9955(4) 0.7871(4) 0.8648(3) 0.0265(10) Uani 1 1 d . .
H26 H 1.074176 0.818851 0.916055 0.032 Uiso 1 1 calc R U
C27 C 0.9995(5) 0.7369(4) 0.7846(3) 0.0276(11) Uani 1 1 d . .
H27 H 1.082871 0.734253 0.783088 0.033 Uiso 1 1 calc R U
C28 C 0.8603(4) 0.8432(3) 0.9515(3) 0.0223(10) Uani 1 1 d . .
C29 C 0.9582(5) 0.9348(3) 1.0986(3) 0.0242(10) Uani 1 1 d . .
C30 C 1.0826(5) 0.9864(3) 1.1809(3) 0.0237(10) Uani 1 1 d . .
C31 C 1.2071(5) 0.9885(4) 1.1771(3) 0.0318(11) Uani 1 1 d . .
H31 H 1.213931 0.957956 1.123423 0.038 Uiso 1 1 calc R U
C32 C 1.3195(5) 1.0364(4) 1.2540(3) 0.0383(13) Uani 1 1 d . .
H32 H 1.402691 1.038167 1.250474 0.046 Uiso 1 1 calc R U
C33 C 1.1989(5) 1.0791(4) 1.3361(3) 0.0342(12) Uani 1 1 d . .
H33 H 1.195393 1.110367 1.390855 0.041 Uiso 1 1 calc R U
C34 C 1.0786(5) 1.0337(4) 1.2624(3) 0.0316(11) Uani 1 1 d . .
H34 H 0.996894 1.034937 1.267408 0.038 Uiso 1 1 calc R U
C35 C 0.7336(5) 0.8896(3) 1.0271(3) 0.0264(10) Uani 1 1 d . .
C36 C 0.5982(5) 0.8862(3) 1.0266(3) 0.0258(10) Uani 1 1 d . .
C37 C 0.5737(5) 0.8982(4) 1.1032(3) 0.0349(12) Uani 1 1 d . .
H37 H 0.642660 0.910697 1.157426 0.042 Uiso 1 1 calc R U
C38 C 0.4427(6) 0.8910(4) 1.0963(4) 0.0449(14) Uani 1 1 d . .
H38 H 0.425811 0.896275 1.147392 0.054 Uiso 1 1 calc R U
C39 C 0.3669(5) 0.8683(4) 0.9508(4) 0.0389(13) Uani 1 1 d . .
H39 H 0.297290 0.860699 0.898431 0.047 Uiso 1 1 calc R U
C40 C 0.4917(5) 0.8695(4) 0.9488(3) 0.0353(12) Uani 1 1 d . .
H40 H 0.503889 0.859151 0.895709 0.042 Uiso 1 1 calc R U
N1 N 1.0329(4) 0.8074(3) 0.3051(2) 0.0248(8) Uani 1 1 d . .
N2 N 1.2096(3) 0.6707(3) 0.0726(2) 0.0224(8) Uani 1 1 d . .
N3 N 1.1130(4) 0.5766(3) -0.0828(2) 0.0239(8) Uani 1 1 d . .
N4 N 0.9732(4) 0.6194(3) -0.0061(2) 0.0220(8) Uani 1 1 d . .
N5 N 1.6061(4) 0.6230(3) -0.0038(3) 0.0393(11) Uani 1 1 d . .
N6 N 0.6480(4) 0.4129(3) -0.3205(2) 0.0234(8) Uani 1 1 d . .
N7 N 0.8904(4) 0.6916(3) 0.7086(2) 0.0215(8) Uani 1 1 d . .
N8 N 0.7376(4) 0.8421(3) 0.9485(2) 0.0262(9) Uani 1 1 d . .
N9 N 0.9737(4) 0.8876(3) 1.0245(2) 0.0253(9) Uani 1 1 d . .
N10 N 0.8395(4) 0.9370(3) 1.1040(2) 0.0247(8) Uani 1 1 d . .
N11 N 1.3187(4) 1.0811(3) 1.3340(3) 0.0385(10) Uani 1 1 d . .
N12 N 0.3400(4) 0.8772(3) 1.0228(3) 0.0409(11) Uani 1 1 d . .
O1 O 0.8774(3) 0.9632(2) 0.3626(2) 0.0276(7) Uani 1 1 d . .
O2 O 0.7005(3) 1.0503(2) 0.3573(2) 0.0333(8) Uani 1 1 d D .
H2 H 0.664390 1.089910 0.391188 0.050 Uiso 1 1 d DR U
O3 O 0.8307(3) 1.0341(2) 0.50190(19) 0.0264(7) Uani 1 1 d D .
O4 O 0.8807(3) 0.8134(2) 0.45360(19) 0.0226(7) Uani 1 1 d . .
O5 O 0.6919(3) 0.6771(2) 0.31619(19) 0.0276(7) Uani 1 1 d D .
O6 O 0.6702(3) 0.7304(2) 0.46576(19) 0.0261(7) Uani 1 1 d . .
O7 O 0.9405(3) 0.4261(2) 0.34794(18) 0.0210(7) Uani 1 1 d . .
O8 O 0.7674(3) 0.5118(2) 0.30234(18) 0.0241(7) Uani 1 1 d D .
H8A H 0.736(4) 0.568(2) 0.310(3) 0.036 Uiso 1 1 d D U
O9 O 0.9235(3) 0.5743(2) 0.46437(18) 0.0192(6) Uani 1 1 d . .
O10 O 0.7312(3) 0.5262(2) 0.54245(19) 0.0239(7) Uani 1 1 d . .
O11 O 0.5471(3) 0.4891(2) 0.39369(19) 0.0231(7) Uani 1 1 d . .
O12 O 0.5503(3) 0.3569(2) 0.46876(19) 0.0228(7) Uani 1 1 d . .
O13 O 0.5765(4) 0.8208(3) 0.2756(2) 0.0537(11) Uani 1 1 d . .
H13A H 0.629121 0.809683 0.251716 0.081 Uiso 1 1 calc R U
O14 O 0.8041(3) 0.3362(2) 0.44954(19) 0.0249(7) Uani 1 1 d D .
H14A H 0.741204 0.282377 0.445434 0.037 Uiso 1 1 d DR U
O15 O 1.0052(3) 0.7692(2) 0.5993(2) 0.0330(8) Uani 1 1 d . .
O16 O 0.5980(3) 0.1580(3) 0.4483(2) 0.0402(9) Uani 1 1 d D .
H16A H 0.583962 0.219153 0.468040 0.060 Uiso 1 1 d DR U
H16B H 0.507278 0.132843 0.421446 0.060 Uiso 1 1 d DR 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
O3 Zn1 O4 113.52(12) 2_776 .
O3 Zn1 O1 116.28(13) 2_776 .
O4 Zn1 O1 97.80(12) . .
O3 Zn1 N1 104.37(14) 2_776 .
O4 Zn1 N1 120.02(14) . .
O1 Zn1 N1 105.08(14) . .
O6 Zn2 O12 110.91(12) . 2_666
O6 Zn2 O11 110.04(13) . .
O12 Zn2 O11 118.62(12) 2_666 .
O6 Zn2 N6 117.47(13) . 2_665
O12 Zn2 N6 106.48(13) 2_666 2_665
O11 Zn2 N6 92.51(13) . 2_665
O10 Zn3 O7 115.58(12) . 2_766
O10 Zn3 O15 139.34(13) . .
O7 Zn3 O15 104.96(13) 2_766 .
O10 Zn3 O9 92.03(11) . .
O7 Zn3 O9 97.45(11) 2_766 .
O15 Zn3 O9 85.38(11) . .
O10 Zn3 N7 89.54(12) . .
O7 Zn3 N7 91.11(12) 2_766 .
O15 Zn3 N7 86.75(13) . .
O9 Zn3 N7 169.62(12) . .
O1 P1 O3 115.82(18) . .
O1 P1 O2 107.69(17) . .
O3 P1 O2 109.52(17) . .
O1 P1 C1 109.51(19) . .
O3 P1 C1 106.92(18) . .
O2 P1 C1 107.07(19) . .
O5 P2 O6 114.45(17) . .
O5 P2 O4 112.53(17) . .
O6 P2 O4 109.18(16) . .
O5 P2 C1 105.20(18) . .
O6 P2 C1 106.72(18) . .
O4 P2 C1 108.37(18) . .
O9 P3 O7 115.01(17) . .
O9 P3 O8 111.44(16) . .
O7 P3 O8 107.24(15) . .
O9 P3 C3 109.72(17) . .
O7 P3 C3 106.53(17) . .
O8 P3 C3 106.45(18) . .
O10 P4 O11 113.02(17) . .
O10 P4 O12 110.41(16) . .
O11 P4 O12 112.16(17) . .
O10 P4 C3 109.02(18) . .
O11 P4 C3 106.27(17) . .
O12 P4 C3 105.56(16) . .
O13 C1 C2 107.6(4) . .
O13 C1 P1 107.3(3) . .
C2 C1 P1 109.7(3) . .
O13 C1 P2 107.4(3) . .
C2 C1 P2 112.4(3) . .
P1 C1 P2 112.2(2) . .
O14 C3 C4 107.3(3) . .
O14 C3 P4 106.3(2) . .
C4 C3 P4 111.1(3) . .
O14 C3 P3 108.9(3) . .
C4 C3 P3 109.8(3) . .
P4 C3 P3 113.1(2) . .
N1 C5 C6 123.7(4) . .
C7 C6 C5 118.3(4) . .
C6 C7 C8 118.9(4) . .
C6 C7 C10 119.9(4) . .
C8 C7 C10 121.2(4) . .
C9 C8 C7 118.9(4) . .
N1 C9 C8 122.9(4) . .
N4 C10 N2 125.6(4) . .
N4 C10 C7 116.5(4) . .
N2 C10 C7 117.9(4) . .
N3 C11 N2 125.6(4) . .
N3 C11 C12 116.8(4) . .
N2 C11 C12 117.6(4) . .
C13 C12 C16 118.1(4) . .
C13 C12 C11 121.1(4) . .
C16 C12 C11 120.7(4) . .
C12 C13 C14 119.1(4) . .
N5 C14 C13 124.1(5) . .
N5 C15 C16 123.5(5) . .
C15 C16 C12 118.4(5) . .
N3 C17 N4 125.0(4) . .
N3 C17 C18 116.9(4) . .
N4 C17 C18 118.2(4) . .
C22 C18 C19 118.3(4) . .
C22 C18 C17 121.1(4) . .
C19 C18 C17 120.6(4) . .
C20 C19 C18 118.8(4) . .
N6 C20 C19 123.4(4) . .
N6 C21 C22 122.3(4) . .
C21 C22 C18 119.4(4) . .
N7 C23 C24 121.6(4) . .
C23 C24 C25 120.3(4) . .
C24 C25 C26 118.5(4) . .
C24 C25 C28 120.9(4) . .
C26 C25 C28 120.7(4) . .
C27 C26 C25 118.1(4) . .
N7 C27 C26 123.6(4) . .
N8 C28 N9 125.1(4) . .
N8 C28 C25 117.2(4) . .
N9 C28 C25 117.7(4) . .
N9 C29 N10 125.0(4) . .
N9 C29 C30 116.6(4) . .
N10 C29 C30 118.4(4) . .
C34 C30 C31 118.3(4) . .
C34 C30 C29 121.8(4) . .
C31 C30 C29 119.9(4) . .
C32 C31 C30 118.4(4) . .
N11 C32 C31 124.7(5) . .
N11 C33 C34 124.2(4) . .
C33 C34 C30 118.3(4) . .
N10 C35 N8 125.8(4) . .
N10 C35 C36 118.3(4) . .
N8 C35 C36 115.9(4) . .
C40 C36 C37 118.0(4) . .
C40 C36 C35 120.5(4) . .
C37 C36 C35 121.4(4) . .
C36 C37 C38 117.7(5) . .
N12 C38 C37 125.1(5) . .
N12 C39 C40 123.9(5) . .
C39 C40 C36 119.2(5) . .
C9 N1 C5 117.3(4) . .
C9 N1 Zn1 124.3(3) . .
C5 N1 Zn1 117.9(3) . .
C10 N2 C11 114.3(4) . .
C11 N3 C17 114.6(4) . .
C10 N4 C17 114.8(4) . .
C14 N5 C15 116.7(4) . .
C20 N6 C21 117.7(4) . .
C20 N6 Zn2 117.4(3) . 2_665
C21 N6 Zn2 121.5(3) . 2_665
C27 N7 C23 117.9(4) . .
C27 N7 Zn3 119.7(3) . .
C23 N7 Zn3 122.4(3) . .
C28 N8 C35 114.6(4) . .
C28 N9 C29 115.2(4) . .
C35 N10 C29 114.3(4) . .
C33 N11 C32 116.0(4) . .
C38 N12 C39 116.0(4) . .
P1 O1 Zn1 117.87(17) . .
P1 O3 Zn1 134.14(18) . 2_776
P2 O4 Zn1 124.90(17) . .
P2 O6 Zn2 128.68(18) . .
P3 O7 Zn3 131.39(17) . 2_766
P3 O9 Zn3 135.58(16) . .
P4 O10 Zn3 136.23(17) . .
P4 O11 Zn2 122.82(17) . .
P4 O12 Zn2 122.40(17) . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 1.896(3) 2_776
Zn1 O4 1.936(3) .
Zn1 O1 1.956(3) .
Zn1 N1 2.026(3) .
Zn2 O6 1.902(3) .
Zn2 O12 1.929(3) 2_666
Zn2 O11 1.934(3) .
Zn2 N6 2.063(4) 2_665
Zn3 O10 1.945(3) .
Zn3 O7 1.974(3) 2_766
Zn3 O15 2.078(3) .
Zn3 O9 2.085(3) .
Zn3 N7 2.118(3) .
P1 O1 1.507(3) .
P1 O3 1.511(3) .
P1 O2 1.555(3) .
P1 C1 1.822(4) .
P2 O5 1.511(3) .
P2 O6 1.517(3) .
P2 O4 1.533(3) .
P2 C1 1.872(4) .
P3 O9 1.502(3) .
P3 O7 1.511(3) .
P3 O8 1.551(3) .
P3 C3 1.834(4) .
P4 O10 1.507(3) .
P4 O11 1.510(3) .
P4 O12 1.533(3) .
P4 C3 1.827(4) .
C1 O13 1.468(5) .
C1 C2 1.494(6) .
C3 O14 1.453(4) .
C3 C4 1.525(6) .
C5 N1 1.332(6) .
C5 C6 1.377(6) .
C6 C7 1.365(6) .
C7 C8 1.383(6) .
C7 C10 1.492(5) .
C8 C9 1.374(6) .
C9 N1 1.330(5) .
C10 N4 1.328(5) .
C10 N2 1.328(5) .
C11 N3 1.329(5) .
C11 N2 1.337(5) .
C11 C12 1.486(6) .
C12 C13 1.368(6) .
C12 C16 1.390(6) .
C13 C14 1.373(6) .
C14 N5 1.317(6) .
C15 N5 1.340(6) .
C15 C16 1.378(6) .
C17 N3 1.332(5) .
C17 N4 1.339(5) .
C17 C18 1.477(6) .
C18 C22 1.384(6) .
C18 C19 1.395(6) .
C19 C20 1.357(6) .
C20 N6 1.342(5) .
C21 N6 1.348(5) .
C21 C22 1.368(6) .
C23 N7 1.346(5) .
C23 C24 1.364(6) .
C24 C25 1.376(6) .
C25 C26 1.384(6) .
C25 C28 1.482(5) .
C26 C27 1.372(6) .
C27 N7 1.334(6) .
C28 N8 1.328(5) .
C28 N9 1.332(6) .
C29 N9 1.335(5) .
C29 N10 1.339(5) .
C29 C30 1.482(6) .
C30 C34 1.382(6) .
C30 C31 1.383(6) .
C31 C32 1.362(7) .
C32 N11 1.336(6) .
C33 N11 1.323(6) .
C33 C34 1.381(7) .
C35 N10 1.328(6) .
C35 N8 1.338(5) .
C35 C36 1.474(6) .
C36 C40 1.377(7) .
C36 C37 1.383(6) .
C37 C38 1.385(7) .
C38 N12 1.321(7) .
C39 N12 1.325(6) .
C39 C40 1.377(6) .
