#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:04:16 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179824 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/20/7012090.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_7012090
loop_
_publ_author_name
'Hill, Michael S.'
'Hitchcock, Peter B.'
_publ_section_title
;
 Synthesis of C2 and Cs symmetric zinc complexes supported by
 bis(phosphinimino)methyl ligands and their use in ring opening
 polymerisation catalysis
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4694
_journal_paper_doi               10.1039/b207358g
_journal_year                    2002
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C59 H52 N2 O1 P2 Zn1'
_chemical_formula_sum            'C59 H52 N2 O P2 Zn'
_chemical_formula_weight         932.34
_chemical_name_common            '[Zn(OCPh3)(MesNPPh2CHPPh2NPh)]'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2002-06-11T10:47:42-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                96.599(1)
_cell_angle_beta                 94.940(1)
_cell_angle_gamma                106.035(1)
_cell_formula_units_Z            2
_cell_length_a                   10.4249(3)
_cell_length_b                   12.5215(3)
_cell_length_c                   19.3876(5)
_cell_measurement_reflns_used    10558
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.986
_cell_measurement_theta_min      3.705
_cell_measurement_wavelength     0.71073
_cell_volume                     2397.71(11)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0996
_diffrn_reflns_av_unetI/netI     0.0882
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20170
_diffrn_reflns_theta_full        23.02
_diffrn_reflns_theta_max         23.02
_diffrn_reflns_theta_min         3.73
_exptl_absorpt_coefficient_mu    0.622
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.35
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         6629
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0225P)²+2.6785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1034
_reflns_number_gt                4927
_reflns_number_total             6629
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b207358g.txt
_cod_data_source_block           msh8-(jun402)
_cod_original_cell_volume        2397.7(1)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012090
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn -0.03127(4) -0.18542(4) 0.25275(2) 0.02076(14) Uani 1 1 d . . .
P1 P -0.18546(10) -0.03814(8) 0.23885(5) 0.0194(2) Uani 1 1 d . . .
P2 P -0.28782(10) -0.26862(8) 0.29155(5) 0.0193(2) Uani 1 1 d . . .
O O 0.0988(2) -0.2092(2) 0.19896(13) 0.0250(6) Uani 1 1 d . . .
N1 N -0.0336(3) -0.0229(3) 0.27252(16) 0.0219(7) Uani 1 1 d . . .
N2 N -0.1376(3) -0.2658(3) 0.32276(16) 0.0223(8) Uani 1 1 d . . .
C1 C -0.2656(4) -0.1815(3) 0.22793(19) 0.0189(9) Uani 1 1 d . . .
H1 H -0.3015 -0.2161 0.1814 0.023 Uiso 1 1 calc R . .
C2 C -0.2013(4) -0.0006(3) 0.1510(2) 0.0230(9) Uani 1 1 d . . .
C3 C -0.2437(4) 0.0909(3) 0.1361(2) 0.0316(11) Uani 1 1 d . . .
H3 H -0.2672 0.1369 0.1724 0.038 Uiso 1 1 calc R . .
C4 C -0.2519(5) 0.1151(4) 0.0680(3) 0.0440(13) Uani 1 1 d . . .
H4 H -0.2811 0.1778 0.058 0.053 Uiso 1 1 calc R . .
C5 C -0.2182(5) 0.0495(4) 0.0150(3) 0.0467(13) Uani 1 1 d . . .
H5 H -0.2256 0.0661 -0.0315 0.056 Uiso 1 1 calc R . .
C6 C -0.1737(5) -0.0403(4) 0.0293(2) 0.0395(12) Uani 1 1 d . . .
H6 H -0.1481 -0.0844 -0.0073 0.047 Uiso 1 1 calc R . .
C7 C -0.1659(4) -0.0668(3) 0.0964(2) 0.0282(10) Uani 1 1 d . . .
H7 H -0.1366 -0.1297 0.1058 0.034 Uiso 1 1 calc R . .
C8 C -0.2723(4) 0.0477(3) 0.2866(2) 0.0250(10) Uani 1 1 d . . .
C9 C -0.4094(4) 0.0044(4) 0.2904(2) 0.0351(11) Uani 1 1 d . . .
H9 H -0.4546 -0.0718 0.2721 0.042 Uiso 1 1 calc R . .
C10 C -0.4795(5) 0.0725(5) 0.3208(3) 0.0527(14) Uani 1 1 d . . .
H10 H -0.5732 0.043 0.323 0.063 Uiso 1 1 calc R . .
C11 C -0.4150(6) 0.1824(5) 0.3480(3) 0.0602(16) Uani 1 1 d . . .
H11 H -0.4641 0.2285 0.3688 0.072 Uiso 1 1 calc R . .
C12 C -0.2807(6) 0.2257(4) 0.3451(2) 0.0522(14) Uani 1 1 d . . .
H12 H -0.2367 0.3018 0.364 0.063 Uiso 1 1 calc R . .
C13 C -0.2079(5) 0.1596(4) 0.3147(2) 0.0385(11) Uani 1 1 d . . .
H13 H -0.1144 0.1903 0.3129 0.046 Uiso 1 1 calc R . .
C14 C -0.3798(4) -0.2335(3) 0.36228(19) 0.0220(9) Uani 1 1 d . . .
C15 C -0.3105(4) -0.1472(4) 0.4153(2) 0.0324(11) Uani 1 1 d . . .
H15 H -0.2169 -0.1134 0.4154 0.039 Uiso 1 1 calc R . .
C16 C -0.3764(5) -0.1099(4) 0.4678(2) 0.0400(12) Uani 1 1 d . . .
H16 H -0.3284 -0.0496 0.5032 0.048 Uiso 1 1 calc R . .
C17 C -0.5109(5) -0.1597(4) 0.4689(2) 0.0461(13) Uani 1 1 d . . .
H17 H -0.556 -0.1347 0.5052 0.055 Uiso 1 1 calc R . .
C18 C -0.5802(5) -0.2464(4) 0.4168(3) 0.0537(14) Uani 1 1 d . . .
H18 H -0.6735 -0.2807 0.4174 0.064 Uiso 1 1 calc R . .
C19 C -0.5153(4) -0.2836(4) 0.3640(2) 0.0403(12) Uani 1 1 d . . .
H19 H -0.5638 -0.3438 0.3287 0.048 Uiso 1 1 calc R . .
C20 C -0.3852(4) -0.4056(3) 0.24567(19) 0.0222(9) Uani 1 1 d . . .
C21 C -0.5107(4) -0.4221(3) 0.2072(2) 0.0270(10) Uani 1 1 d . . .
H21 H -0.5493 -0.3617 0.2072 0.032 Uiso 1 1 calc R . .
C22 C -0.5789(5) -0.5261(4) 0.1691(2) 0.0390(12) Uani 1 1 d . . .
H22 H -0.665 -0.5375 0.144 0.047 Uiso 1 1 calc R . .
C23 C -0.5211(5) -0.6127(4) 0.1680(2) 0.0422(13) Uani 1 1 d . . .
H23 H -0.5668 -0.6836 0.1412 0.051 Uiso 1 1 calc R . .
C24 C -0.3967(5) -0.5969(4) 0.2057(2) 0.0382(12) Uani 1 1 d . . .
H24 H -0.3573 -0.6569 0.2047 0.046 Uiso 1 1 calc R . .
C25 C -0.3292(4) -0.4933(3) 0.2450(2) 0.0276(10) Uani 1 1 d . . .
H25 H -0.2445 -0.483 0.2713 0.033 Uiso 1 1 calc R . .
C26 C 0.0735(4) 0.0771(3) 0.2967(2) 0.0203(9) Uani 1 1 d . . .
C27 C 0.1002(4) 0.1183(3) 0.3686(2) 0.0221(9) Uani 1 1 d . . .
C28 C 0.2047(4) 0.2161(3) 0.3924(2) 0.0283(10) Uani 1 1 d . . .
H28 H 0.2211 0.2441 0.441 0.034 Uiso 1 1 calc R . .
C29 C 0.2850(4) 0.2736(3) 0.3477(2) 0.0327(11) Uani 1 1 d . . .
C30 C 0.2618(4) 0.2280(3) 0.2778(2) 0.0346(11) Uani 1 1 d . . .
H30 H 0.3184 0.2649 0.2466 0.042 Uiso 1 1 calc R . .
C31 C 0.1592(4) 0.1306(3) 0.2511(2) 0.0256(10) Uani 1 1 d . . .
C32 C 0.0183(4) 0.0586(4) 0.4200(2) 0.0343(11) Uani 1 1 d . . .
H32A H 0.0605 0.0914 0.4677 0.051 Uiso 1 1 calc R . .
H32B H 0.0135 -0.0212 0.4123 0.051 Uiso 1 1 calc R . .
H32C H -0.0727 0.0666 0.4136 0.051 Uiso 1 1 calc R . .
C33 C 0.3919(5) 0.3843(4) 0.3745(3) 0.0519(14) Uani 1 1 d . . .
H33A H 0.4383 0.4128 0.3355 0.078 Uiso 0.5 1 calc PR . .
H33B H 0.457 0.3724 0.4102 0.078 Uiso 0.5 1 calc PR . .
H33C H 0.3492 0.439 0.3949 0.078 Uiso 0.5 1 calc PR . .
H33D H 0.3914 0.4033 0.4249 0.078 Uiso 0.5 1 calc PR . .
H33E H 0.3727 0.4437 0.3502 0.078 Uiso 0.5 1 calc PR . .
H33F H 0.4805 0.3771 0.3655 0.078 Uiso 0.5 1 calc PR . .
C34 C 0.1463(5) 0.0843(4) 0.1750(2) 0.0408(12) Uani 1 1 d . . .
H34A H 0.0762 0.1072 0.1488 0.061 Uiso 1 1 calc R . .
H34B H 0.1221 0.0021 0.1697 0.061 Uiso 1 1 calc R . .
H34C H 0.2322 0.1132 0.1569 0.061 Uiso 1 1 calc R . .
C35 C -0.1011(4) -0.3034(3) 0.38553(19) 0.0230(9) Uani 1 1 d . . .
C36 C 0.0298(4) -0.2561(4) 0.4191(2) 0.0291(10) Uani 1 1 d . . .
H36 H 0.0916 -0.2011 0.3989 0.035 Uiso 1 1 calc R . .
C37 C 0.0711(5) -0.2881(4) 0.4815(2) 0.0383(12) Uani 1 1 d . . .
H37 H 0.1603 -0.2543 0.5039 0.046 Uiso 1 1 calc R . .
C38 C -0.0161(5) -0.3684(4) 0.5113(2) 0.0424(12) Uani 1 1 d . . .
H38 H 0.0123 -0.3905 0.5539 0.051 Uiso 1 1 calc R . .
C39 C -0.1457(5) -0.4166(4) 0.4784(2) 0.0395(12) Uani 1 1 d . . .
H39 H -0.2064 -0.4724 0.4986 0.047 Uiso 1 1 calc R . .
C40 C -0.1883(4) -0.3847(3) 0.4164(2) 0.0275(10) Uani 1 1 d . . .
H40 H -0.2779 -0.4187 0.3947 0.033 Uiso 1 1 calc R . .
C41 C 0.0951(4) -0.3058(3) 0.15327(19) 0.0202(9) Uani 1 1 d . . .
C42 C 0.2278(4) -0.2821(3) 0.1202(2) 0.0220(9) Uani 1 1 d . . .
C43 C 0.3243(4) -0.1796(3) 0.1394(2) 0.0273(10) Uani 1 1 d . . .
H43 H 0.3097 -0.1258 0.1742 0.033 Uiso 1 1 calc R . .
C44 C 0.4423(4) -0.1542(4) 0.1085(2) 0.0332(11) Uani 1 1 d . . .
H44 H 0.5072 -0.0831 0.1221 0.04 Uiso 1 1 calc R . .
C45 C 0.4660(4) -0.2313(4) 0.0582(2) 0.0329(11) Uani 1 1 d . . .
H45 H 0.5466 -0.2136 0.0369 0.039 Uiso 1 1 calc R . .
C46 C 0.3717(4) -0.3341(4) 0.0394(2) 0.0353(11) Uani 1 1 d . . .
H46 H 0.3873 -0.3884 0.0052 0.042 Uiso 1 1 calc R . .
C47 C 0.2535(4) -0.3589(3) 0.0701(2) 0.0291(10) Uani 1 1 d . . .
H47 H 0.1889 -0.4301 0.0565 0.035 Uiso 1 1 calc R . .
C48 C 0.0848(4) -0.4070(3) 0.1937(2) 0.0212(9) Uani 1 1 d . . .
C49 C 0.0317(4) -0.5182(3) 0.1621(2) 0.0287(10) Uani 1 1 d . . .
H49 H -0.0004 -0.5342 0.1136 0.034 Uiso 1 1 calc R . .
C50 C 0.0253(4) -0.6060(4) 0.2009(3) 0.0396(12) Uani 1 1 d . . .
H50 H -0.0093 -0.6815 0.1784 0.048 Uiso 1 1 calc R . .
C51 C 0.0688(5) -0.5842(4) 0.2717(3) 0.0424(12) Uani 1 1 d . . .
H51 H 0.0629 -0.6441 0.2983 0.051 Uiso 1 1 calc R . .
C52 C 0.1205(5) -0.4752(4) 0.3032(2) 0.0408(12) Uani 1 1 d . . .
H52 H 0.1498 -0.4596 0.352 0.049 Uiso 1 1 calc R . .
C53 C 0.1306(4) -0.3873(3) 0.2648(2) 0.0301(10) Uani 1 1 d . . .
H53 H 0.1696 -0.3124 0.2873 0.036 Uiso 1 1 calc R . .
C54 C -0.0270(4) -0.3300(3) 0.09700(19) 0.0205(9) Uani 1 1 d . . .
C55 C -0.0186(4) -0.2988(3) 0.0305(2) 0.0286(10) Uani 1 1 d . . .
H55 H 0.0671 -0.268 0.0162 0.034 Uiso 1 1 calc R . .
C56 C -0.1338(4) -0.3122(4) -0.0149(2) 0.0353(11) Uani 1 1 d . . .
H56 H -0.1264 -0.2916 -0.0604 0.042 Uiso 1 1 calc R . .
C57 C -0.2603(4) -0.3556(4) 0.0056(2) 0.0356(11) Uani 1 1 d . . .
H57 H -0.3392 -0.3634 -0.0252 0.043 Uiso 1 1 calc R . .
C58 C -0.2697(4) -0.3872(4) 0.0711(2) 0.0339(11) Uani 1 1 d . . .
H58 H -0.3556 -0.4171 0.0855 0.041 Uiso 1 1 calc R . .
C59 C -0.1550(4) -0.3754(3) 0.1159(2) 0.0283(10) Uani 1 1 d . . .
H59 H -0.1632 -0.3988 0.1606 0.034 Uiso 1 1 calc R . .
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 0 '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 0.006 '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
_geom_angle_publ_flag
O Zn N2 135.92(12) . . ?
O Zn N1 115.06(12) . . ?
N2 Zn N1 105.87(13) . . ?
N1 P1 C1 105.74(17) . . ?
N1 P1 C8 114.74(18) . . ?
C1 P1 C8 114.43(18) . . ?
N1 P1 C2 114.87(17) . . ?
C1 P1 C2 104.31(18) . . ?
C8 P1 C2 102.52(18) . . ?
N2 P2 C1 105.25(17) . . ?
N2 P2 C20 112.85(18) . . ?
C1 P2 C20 105.08(17) . . ?
N2 P2 C14 109.99(17) . . ?
C1 P2 C14 116.67(18) . . ?
C20 P2 C14 107.07(18) . . ?
C41 O Zn 128.3(2) . . ?
C26 N1 P1 129.9(3) . . ?
C26 N1 Zn 130.4(2) . . ?
P1 N1 Zn 98.78(15) . . ?
C35 N2 P2 126.4(2) . . ?
C35 N2 Zn 133.4(2) . . ?
P2 N2 Zn 100.01(14) . . ?
P2 C1 P1 127.7(2) . . ?
P2 C1 Zn 81.46(14) . . ?
P1 C1 Zn 80.90(14) . . ?
C3 C2 C7 118.9(4) . . ?
C3 C2 P1 123.1(3) . . ?
C7 C2 P1 117.9(3) . . ?
C2 C3 C4 120.0(4) . . ?
C5 C4 C3 120.7(4) . . ?
C4 C5 C6 119.9(4) . . ?
C5 C6 C7 120.4(5) . . ?
C6 C7 C2 120.0(4) . . ?
C9 C8 C13 118.9(4) . . ?
C9 C8 P1 119.3(3) . . ?
C13 C8 P1 121.6(3) . . ?
C10 C9 C8 119.8(5) . . ?
C11 C10 C9 120.6(5) . . ?
C12 C11 C10 120.2(5) . . ?
C11 C12 C13 120.6(5) . . ?
C12 C13 C8 119.9(4) . . ?
C19 C14 C15 118.7(4) . . ?
C19 C14 P2 123.7(3) . . ?
C15 C14 P2 117.5(3) . . ?
C16 C15 C14 120.8(4) . . ?
C17 C16 C15 120.1(4) . . ?
C16 C17 C18 119.6(4) . . ?
C17 C18 C19 120.6(4) . . ?
C18 C19 C14 120.2(4) . . ?
C25 C20 C21 119.5(4) . . ?
C25 C20 P2 118.7(3) . . ?
C21 C20 P2 121.7(3) . . ?
C22 C21 C20 120.4(4) . . ?
C23 C22 C21 119.7(4) . . ?
C22 C23 C24 120.2(4) . . ?
C23 C24 C25 120.2(4) . . ?
C20 C25 C24 120.0(4) . . ?
C31 C26 C27 119.1(3) . . ?
C31 C26 N1 121.5(3) . . ?
C27 C26 N1 119.3(3) . . ?
C28 C27 C26 119.4(4) . . ?
C28 C27 C32 119.6(4) . . ?
C26 C27 C32 121.0(3) . . ?
C29 C28 C27 122.2(4) . . ?
C28 C29 C30 117.4(4) . . ?
C28 C29 C33 121.0(4) . . ?
C30 C29 C33 121.7(4) . . ?
C29 C30 C31 123.0(4) . . ?
C30 C31 C26 118.7(4) . . ?
C30 C31 C34 119.1(4) . . ?
C26 C31 C34 122.1(3) . . ?
C40 C35 C36 117.7(3) . . ?
C40 C35 N2 124.0(3) . . ?
C36 C35 N2 118.3(3) . . ?
C37 C36 C35 121.1(4) . . ?
C38 C37 C36 120.5(4) . . ?
C37 C38 C39 119.1(4) . . ?
C38 C39 C40 120.9(4) . . ?
C39 C40 C35 120.7(4) . . ?
O C41 C54 108.0(3) . . ?
O C41 C42 107.9(3) . . ?
C54 C41 C42 111.1(3) . . ?
O C41 C48 110.7(3) . . ?
C54 C41 C48 110.7(3) . . ?
C42 C41 C48 108.4(3) . . ?
C43 C42 C47 117.9(4) . . ?
C43 C42 C41 119.6(3) . . ?
C47 C42 C41 122.5(3) . . ?
C42 C43 C44 120.8(4) . . ?
C45 C44 C43 120.6(4) . . ?
C46 C45 C44 119.1(4) . . ?
C45 C46 C47 120.1(4) . . ?
C42 C47 C46 121.4(4) . . ?
C53 C48 C49 117.8(4) . . ?
C53 C48 C41 119.2(3) . . ?
C49 C48 C41 123.0(3) . . ?
C50 C49 C48 120.6(4) . . ?
C51 C50 C49 120.4(4) . . ?
C52 C51 C50 119.2(4) . . ?
C51 C52 C53 120.8(4) . . ?
C52 C53 C48 121.1(4) . . ?
C55 C54 C59 117.7(4) . . ?
C55 C54 C41 123.7(3) . . ?
C59 C54 C41 118.2(3) . . ?
C56 C55 C54 120.8(4) . . ?
C55 C56 C57 120.4(4) . . ?
C58 C57 C56 119.3(4) . . ?
C57 C58 C59 120.3(4) . . ?
C58 C59 C54 121.5(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn O 1.846(3) . ?
Zn N2 2.010(3) . ?
Zn N1 2.034(3) . ?
P1 N1 1.611(3) . ?
P1 C1 1.737(4) . ?
P1 C8 1.813(4) . ?
P1 C2 1.824(4) . ?
P2 N2 1.619(3) . ?
P2 C1 1.728(3) . ?
P2 C20 1.816(4) . ?
P2 C14 1.820(4) . ?
O C41 1.405(4) . ?
N1 C26 1.427(5) . ?
N2 C35 1.413(4) . ?
C2 C3 1.388(5) . ?
C2 C7 1.405(6) . ?
C3 C4 1.389(6) . ?
C4 C5 1.371(7) . ?
C5 C6 1.377(6) . ?
C6 C7 1.381(5) . ?
C8 C9 1.393(6) . ?
C8 C13 1.397(6) . ?
C9 C10 1.384(6) . ?
C10 C11 1.373(7) . ?
C11 C12 1.363(7) . ?
C12 C13 1.386(6) . ?
C14 C19 1.383(5) . ?
C14 C15 1.389(6) . ?
C15 C16 1.385(6) . ?
C16 C17 1.370(6) . ?
C17 C18 1.382(7) . ?
C18 C19 1.382(6) . ?
C20 C25 1.378(5) . ?
C20 C21 1.399(5) . ?
C21 C22 1.386(6) . ?
C22 C23 1.378(6) . ?
C23 C24 1.384(6) . ?
C24 C25 1.390(6) . ?
C26 C31 1.404(5) . ?
C26 C27 1.406(5) . ?
C27 C28 1.395(5) . ?
C27 C32 1.499(5) . ?
C28 C29 1.380(6) . ?
C29 C30 1.382(6) . ?
C29 C33 1.521(6) . ?
C30 C31 1.393(6) . ?
C31 C34 1.501(6) . ?
C35 C40 1.394(5) . ?
C35 C36 1.396(5) . ?
C36 C37 1.389(5) . ?
C37 C38 1.374(6) . ?
C38 C39 1.381(6) . ?
C39 C40 1.385(5) . ?
C41 C54 1.541(5) . ?
C41 C42 1.543(5) . ?
C41 C48 1.549(5) . ?
C42 C43 1.382(5) . ?
C42 C47 1.382(5) . ?
C43 C44 1.389(5) . ?
C44 C45 1.379(6) . ?
C45 C46 1.375(6) . ?
C46 C47 1.388(5) . ?
C48 C53 1.389(5) . ?
C48 C49 1.393(5) . ?
C49 C50 1.392(5) . ?
C50 C51 1.380(6) . ?
C51 C52 1.368(6) . ?
C52 C53 1.383(6) . ?
C54 C55 1.392(5) . ?
C54 C59 1.396(5) . ?
C55 C56 1.385(6) . ?
C56 C57 1.392(6) . ?
C57 C58 1.374(6) . ?
C58 C59 1.379(5) . ?
