#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/20/7012088.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_7012088
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         'C57 H64 N2 O1 Zn1'
_chemical_formula_sum            'C57 H64 N2 O P2 Zn'
_chemical_formula_weight         920.41
_chemical_name_common            '[Zn{OC6H3tBu2)(MesNPPh2CHPPh2NMes)]''
_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/cifdics/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1
_audit_creation_date             2001-12-04T16:27:48-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                94.210(2)
_cell_angle_beta                 106.701(3)
_cell_angle_gamma                110.514(3)
_cell_formula_units_Z            2
_cell_length_a                   12.9453(7)
_cell_length_b                   14.0557(9)
_cell_length_c                   15.6630(9)
_cell_measurement_reflns_used    7556
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.986
_cell_measurement_theta_min      4.076
_cell_measurement_wavelength     0.71073
_cell_volume                     2508.0(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       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  0.0533
_diffrn_reflns_av_unetI/netI     0.082
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13734
_diffrn_reflns_theta_full        23.01
_diffrn_reflns_theta_max         23.01
_diffrn_reflns_theta_min         4.15
_exptl_absorpt_coefficient_mu    0.594
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.269
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.06
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     594
_refine_ls_number_reflns         6926
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0283P)²+1.7301P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1057
_reflns_number_gt                5141
_reflns_number_total             6926
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b207358g.txt
_cod_data_source_block           msh6-(dec301)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012088
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 0.27847(3) 0.53804(3) 0.26015(3) 0.02632(14) Uani 1 1 d . . .
P1 P 0.44923(8) 0.75809(7) 0.32986(6) 0.0229(2) Uani 1 1 d . . .
P2 P 0.18755(8) 0.71596(7) 0.27771(6) 0.0229(2) Uani 1 1 d . . .
O O 0.2255(2) 0.3964(2) 0.2468(2) 0.0485(8) Uani 1 1 d . . .
N1 N 0.4344(2) 0.6419(2) 0.29018(19) 0.0245(7) Uani 1 1 d . . .
N2 N 0.1632(2) 0.5927(2) 0.26951(19) 0.0231(7) Uani 1 1 d . . .
C1 C 0.3287(3) 0.7867(3) 0.2858(2) 0.0247(9) Uani 1 1 d . . .
H1 H 0.3419 0.8492 0.2632 0.03 Uiso 1 1 calc R . .
C2 C 0.5739(3) 0.8504(3) 0.3098(2) 0.0262(9) Uani 1 1 d . . .
C3 C 0.6837(3) 0.8490(3) 0.3513(3) 0.0373(10) Uani 1 1 d . . .
H3 H 0.6929 0.8066 0.3952 0.045 Uiso 1 1 calc R . .
C4 C 0.7795(3) 0.9085(3) 0.3295(3) 0.0459(12) Uani 1 1 d . . .
H4 H 0.8538 0.9061 0.3577 0.055 Uiso 1 1 calc R . .
C5 C 0.7673(4) 0.9707(3) 0.2674(3) 0.0480(12) Uani 1 1 d . . .
H5 H 0.8329 1.0106 0.2517 0.058 Uiso 1 1 calc R . .
C6 C 0.6603(4) 0.9758(4) 0.2276(3) 0.0510(12) Uani 1 1 d . . .
H6 H 0.6525 1.0206 0.1858 0.061 Uiso 1 1 calc R . .
C7 C 0.5637(3) 0.9152(3) 0.2486(3) 0.0387(10) Uani 1 1 d . . .
H7 H 0.4898 0.9185 0.2206 0.046 Uiso 1 1 calc R . .
C8 C 0.4885(3) 0.7757(3) 0.4524(2) 0.0249(9) Uani 1 1 d . . .
C9 C 0.4694(3) 0.6932(3) 0.4975(3) 0.0324(9) Uani 1 1 d . . .
H9 H 0.4428 0.6247 0.4648 0.039 Uiso 1 1 calc R . .
C10 C 0.4891(3) 0.7103(4) 0.5904(3) 0.0403(11) Uani 1 1 d . . .
H10 H 0.4747 0.6534 0.6207 0.048 Uiso 1 1 calc R . .
C11 C 0.5293(3) 0.8091(4) 0.6381(3) 0.0404(11) Uani 1 1 d . . .
H11 H 0.5414 0.8202 0.7014 0.048 Uiso 1 1 calc R . .
C12 C 0.5523(3) 0.8924(3) 0.5952(3) 0.0393(10) Uani 1 1 d . . .
H12 H 0.5826 0.9609 0.629 0.047 Uiso 1 1 calc R . .
C13 C 0.5311(3) 0.8756(3) 0.5027(3) 0.0339(10) Uani 1 1 d . . .
H13 H 0.5457 0.9329 0.4729 0.041 Uiso 1 1 calc R . .
C14 C 0.1432(3) 0.7561(3) 0.3698(2) 0.0277(9) Uani 1 1 d . . .
C15 C 0.2238(3) 0.8358(3) 0.4398(3) 0.0363(10) Uani 1 1 d . . .
H15 H 0.3016 0.8678 0.4396 0.044 Uiso 1 1 calc R . .
C16 C 0.1935(4) 0.8708(4) 0.5113(3) 0.0531(13) Uani 1 1 d . . .
H16 H 0.2504 0.9256 0.5595 0.064 Uiso 1 1 calc R . .
C17 C 0.0807(4) 0.8252(4) 0.5109(3) 0.0542(13) Uani 1 1 d . . .
H17 H 0.0592 0.8488 0.559 0.065 Uiso 1 1 calc R . .
C18 C -0.0015(4) 0.7455(3) 0.4417(3) 0.0466(12) Uani 1 1 d . . .
H18 H -0.0794 0.7145 0.4421 0.056 Uiso 1 1 calc R . .
C19 C 0.0284(3) 0.7097(3) 0.3708(3) 0.0348(10) Uani 1 1 d . . .
H19 H -0.0286 0.6542 0.3233 0.042 Uiso 1 1 calc R . .
C20 C 0.0997(3) 0.7491(3) 0.1804(2) 0.0284(9) Uani 1 1 d . . .
C21 C 0.1118(4) 0.7277(3) 0.0962(3) 0.0408(11) Uani 1 1 d . . .
H21 H 0.1655 0.6973 0.0918 0.049 Uiso 1 1 calc R . .
C22 C 0.0469(4) 0.7499(3) 0.0189(3) 0.0497(12) Uani 1 1 d . . .
H22 H 0.0562 0.7346 -0.0379 0.06 Uiso 1 1 calc R . .
C23 C -0.0310(4) 0.7942(4) 0.0247(3) 0.0562(13) Uani 1 1 d . . .
H23 H -0.0767 0.8086 -0.0281 0.067 Uiso 1 1 calc R . .
C24 C -0.0418(4) 0.8173(4) 0.1077(3) 0.0667(15) Uani 1 1 d . . .
H24 H -0.0952 0.8482 0.112 0.08 Uiso 1 1 calc R . .
C25 C 0.0239(4) 0.7962(3) 0.1852(3) 0.0466(12) Uani 1 1 d . . .
H25 H 0.0166 0.8144 0.2422 0.056 Uiso 1 1 calc R . .
C26 C 0.5085(3) 0.6236(3) 0.2423(2) 0.0258(9) Uani 1 1 d . . .
C27 C 0.4872(3) 0.6329(3) 0.1515(3) 0.0293(9) Uani 1 1 d . . .
C28 C 0.5583(3) 0.6132(3) 0.1068(3) 0.0371(10) Uani 1 1 d . . .
H28 H 0.5449 0.6209 0.0452 0.045 Uiso 1 1 calc R . .
C29 C 0.6479(3) 0.5830(3) 0.1491(3) 0.0390(11) Uani 1 1 d . . .
C30 C 0.6648(3) 0.5703(3) 0.2384(3) 0.0381(11) Uani 1 1 d . . .
H30 H 0.7249 0.5481 0.2679 0.046 Uiso 1 1 calc R . .
C31 C 0.5960(3) 0.5894(3) 0.2862(3) 0.0313(9) Uani 1 1 d . . .
C32 C 0.3878(3) 0.6619(3) 0.1004(3) 0.0430(11) Uani 1 1 d . . .
H32A H 0.3906 0.6694 0.0393 0.064 Uiso 1 1 calc R . .
H32B H 0.3953 0.7275 0.133 0.064 Uiso 1 1 calc R . .
H32C H 0.3129 0.6075 0.0957 0.064 Uiso 1 1 calc R . .
C33 C 0.7249(4) 0.5643(4) 0.0980(3) 0.0586(14) Uani 1 1 d . . .
H33A H 0.7835 0.5436 0.1378 0.088 Uiso 0.5 1 calc PR . .
H33B H 0.7643 0.6281 0.0789 0.088 Uiso 0.5 1 calc PR . .
H33C H 0.6763 0.5092 0.0444 0.088 Uiso 0.5 1 calc PR . .
H33D H 0.6993 0.577 0.0362 0.088 Uiso 0.5 1 calc PR . .
H33E H 0.7185 0.4925 0.0952 0.088 Uiso 0.5 1 calc PR . .
H33F H 0.8065 0.6114 0.1297 0.088 Uiso 0.5 1 calc PR . .
C34 C 0.6146(4) 0.5726(3) 0.3818(3) 0.0447(11) Uani 1 1 d . . .
H34A H 0.6413 0.639 0.4228 0.067 Uiso 1 1 calc R . .
H34B H 0.6739 0.5427 0.3991 0.067 Uiso 1 1 calc R . .
H34C H 0.5409 0.525 0.3863 0.067 Uiso 1 1 calc R . .
C35 C 0.0580(3) 0.5175(3) 0.2775(2) 0.0239(9) Uani 1 1 d . . .
C36 C 0.0586(3) 0.4906(3) 0.3620(3) 0.0314(9) Uani 1 1 d . . .
C37 C -0.0432(3) 0.4186(3) 0.3687(3) 0.0387(10) Uani 1 1 d . . .
H37 H -0.0431 0.4015 0.4263 0.046 Uiso 1 1 calc R . .
C38 C -0.1445(3) 0.3710(3) 0.2949(3) 0.0402(11) Uani 1 1 d . . .
C39 C -0.1401(3) 0.3940(3) 0.2119(3) 0.0371(10) Uani 1 1 d . . .
H39 H -0.2079 0.3596 0.1598 0.045 Uiso 1 1 calc R . .
C40 C -0.0413(3) 0.4651(3) 0.2006(3) 0.0304(9) Uani 1 1 d . . .
C41 C 0.1690(3) 0.5348(3) 0.4444(3) 0.0390(10) Uani 1 1 d . . .
H41A H 0.1511 0.5112 0.4978 0.059 Uiso 1 1 calc R . .
H41B H 0.1993 0.6106 0.4549 0.059 Uiso 1 1 calc R . .
H41C H 0.2279 0.5112 0.4339 0.059 Uiso 1 1 calc R . .
C42 C -0.2556(4) 0.2938(4) 0.3049(3) 0.0665(15) Uani 1 1 d . . .
H42A H -0.2413 0.2875 0.3688 0.1 Uiso 0.5 1 calc PR . .
H42B H -0.2775 0.226 0.2677 0.1 Uiso 0.5 1 calc PR . .
H42C H -0.3192 0.3182 0.2847 0.1 Uiso 0.5 1 calc PR . .
H42D H -0.3174 0.2669 0.2453 0.1 Uiso 0.5 1 calc PR . .
H42E H -0.2812 0.3285 0.3464 0.1 Uiso 0.5 1 calc PR . .
H42F H -0.2395 0.2363 0.3294 0.1 Uiso 0.5 1 calc PR . .
C43 C -0.0410(3) 0.4810(3) 0.1066(2) 0.0359(10) Uani 1 1 d . . .
H43A H -0.1085 0.4254 0.0614 0.054 Uiso 1 1 calc R . .
H43B H 0.0313 0.48 0.0993 0.054 Uiso 1 1 calc R . .
H43C H -0.0456 0.5479 0.098 0.054 Uiso 1 1 calc R . .
C44 C 0.2537(3) 0.3250(3) 0.2099(3) 0.0353(10) Uani 1 1 d . . .
C45 C 0.2070(3) 0.2209(3) 0.2203(2) 0.0290(9) Uani 1 1 d . . .
C46 C 0.2325(3) 0.1484(3) 0.1743(2) 0.0318(9) Uani 1 1 d . . .
H46 H 0.1979 0.0781 0.1793 0.038 Uiso 1 1 calc R . .
C47 C 0.3050(3) 0.1710(3) 0.1214(2) 0.0301(9) Uani 1 1 d . A .
C48 C 0.3529(4) 0.2740(3) 0.1148(3) 0.0417(11) Uani 1 1 d . . .
H48 H 0.4041 0.294 0.0805 0.05 Uiso 1 1 calc R . .
C49 C 0.3270(4) 0.3485(3) 0.1580(3) 0.0414(11) Uani 1 1 d . . .
H49 H 0.3608 0.4184 0.1517 0.05 Uiso 1 1 calc R . .
C50 C 0.1301(3) 0.1900(3) 0.2809(3) 0.0339(10) Uani 1 1 d . . .
C51 C 0.1975(4) 0.2535(4) 0.3776(3) 0.0508(12) Uani 1 1 d . . .
H51A H 0.2687 0.2403 0.4029 0.076 Uiso 1 1 calc R . .
H51B H 0.1481 0.2333 0.4157 0.076 Uiso 1 1 calc R . .
H51C H 0.2187 0.3273 0.3762 0.076 Uiso 1 1 calc R . .
C52 C 0.0179(3) 0.2100(3) 0.2416(3) 0.0410(11) Uani 1 1 d . . .
H52A H 0.0387 0.2824 0.2346 0.061 Uiso 1 1 calc R . .
H52B H -0.0276 0.196 0.2829 0.061 Uiso 1 1 calc R . .
H52C H -0.029 0.1644 0.1822 0.061 Uiso 1 1 calc R . .
C53 C 0.0950(4) 0.0758(3) 0.2879(3) 0.0501(12) Uani 1 1 d . . .
H53A H 0.0475 0.0325 0.2275 0.075 Uiso 1 1 calc R . .
H53B H 0.0494 0.0604 0.329 0.075 Uiso 1 1 calc R . .
H53C H 0.1655 0.0613 0.3115 0.075 Uiso 1 1 calc R . .
C54 C 0.3276(3) 0.0866(3) 0.0714(3) 0.0411(11) Uani 1 1 d D . .
C55 C 0.3181(14) -0.0042(8) 0.1240(5) 0.074(4) Uani 0.79(2) 1 d PD A 1
H55A H 0.3763 0.0216 0.1852 0.11 Uiso 0.79(2) 1 calc PR A 1
H55B H 0.3325 -0.058 0.0916 0.11 Uiso 0.79(2) 1 calc PR A 1
H55C H 0.2395 -0.0335 0.1284 0.11 Uiso 0.79(2) 1 calc PR A 1
C56 C 0.2341(8) 0.0396(8) -0.0204(5) 0.065(3) Uani 0.79(2) 1 d PD A 1
H56A H 0.157 0.0141 -0.013 0.098 Uiso 0.79(2) 1 calc PR A 1
H56B H 0.246 -0.0181 -0.0494 0.098 Uiso 0.79(2) 1 calc PR A 1
H56C H 0.2385 0.0922 -0.0584 0.098 Uiso 0.79(2) 1 calc PR A 1
C57 C 0.4484(8) 0.1268(7) 0.0628(12) 0.116(5) Uani 0.79(2) 1 d PD A 1
H57A H 0.4558 0.1828 0.0282 0.173 Uiso 0.79(2) 1 calc PR A 1
H57B H 0.4597 0.0705 0.031 0.173 Uiso 0.79(2) 1 calc PR A 1
H57C H 0.5078 0.1531 0.1234 0.173 Uiso 0.79(2) 1 calc PR A 1
C55A C 0.385(2) 0.0286(19) 0.1324(13) 0.032(7) Uiso 0.21(2) 1 d PD A 2
H55D H 0.4621 0.077 0.1737 0.048 Uiso 0.21(2) 1 calc PR A 2
H55E H 0.3954 -0.0246 0.0953 0.048 Uiso 0.21(2) 1 calc PR A 2
H55F H 0.3362 -0.0044 0.1677 0.048 Uiso 0.21(2) 1 calc PR A 2
C56A C 0.2167(18) 0.011(2) -0.0011(19) 0.068(13) Uiso 0.21(2) 1 d PD A 2
H56D H 0.1608 -0.0266 0.0276 0.101 Uiso 0.21(2) 1 calc PR A 2
H56E H 0.2353 -0.0379 -0.0354 0.101 Uiso 0.21(2) 1 calc PR A 2
H56F H 0.1821 0.0493 -0.0425 0.101 Uiso 0.21(2) 1 calc PR A 2
C57A C 0.414(2) 0.138(2) 0.0193(17) 0.053(9) Uiso 0.21(2) 1 d PD A 2
H57D H 0.3741 0.1649 -0.0304 0.079 Uiso 0.21(2) 1 calc PR A 2
H57E H 0.4374 0.0863 -0.0055 0.079 Uiso 0.21(2) 1 calc PR A 2
H57F H 0.483 0.195 0.0614 0.079 Uiso 0.21(2) 1 calc PR A 2
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 N1 130.98(11) . . ?
O Zn N2 113.53(12) . . ?
N1 Zn N2 114.19(11) . . ?
N1 P1 C1 114.92(16) . . ?
N1 P1 C2 108.39(15) . . ?
C1 P1 C2 109.69(17) . . ?
N1 P1 C8 108.73(16) . . ?
C1 P1 C8 109.54(15) . . ?
C2 P1 C8 105.11(16) . . ?
N2 P2 C1 110.75(15) . . ?
N2 P2 C20 115.05(16) . . ?
C1 P2 C20 104.17(17) . . ?
N2 P2 C14 109.00(16) . . ?
C1 P2 C14 115.01(17) . . ?
C20 P2 C14 102.74(16) . . ?
C44 O Zn 133.9(3) . . ?
C26 N1 P1 122.3(2) . . ?
C26 N1 Zn 117.6(2) . . ?
P1 N1 Zn 114.44(14) . . ?
C35 N2 P2 122.4(2) . . ?
C35 N2 Zn 114.6(2) . . ?
P2 N2 Zn 122.76(16) . . ?
P2 C1 P1 127.7(2) . . ?
C7 C2 C3 118.4(3) . . ?
C7 C2 P1 123.0(3) . . ?
C3 C2 P1 118.3(3) . . ?
C4 C3 C2 120.7(4) . . ?
C5 C4 C3 120.0(4) . . ?
C4 C5 C6 120.2(4) . . ?
C5 C6 C7 119.9(4) . . ?
C2 C7 C6 120.7(4) . . ?
C9 C8 C13 118.5(3) . . ?
C9 C8 P1 122.7(3) . . ?
C13 C8 P1 118.6(3) . . ?
C8 C9 C10 120.4(4) . . ?
C11 C10 C9 120.0(4) . . ?
C10 C11 C12 120.6(4) . . ?
C11 C12 C13 119.5(4) . . ?
C12 C13 C8 120.9(4) . . ?
C15 C14 C19 118.8(3) . . ?
C15 C14 P2 119.1(3) . . ?
C19 C14 P2 122.1(3) . . ?
C14 C15 C16 121.3(4) . . ?
C17 C16 C15 119.2(4) . . ?
C16 C17 C18 120.5(4) . . ?
C17 C18 C19 120.5(4) . . ?
C18 C19 C14 119.6(4) . . ?
C25 C20 C21 118.0(3) . . ?
C25 C20 P2 123.9(3) . . ?
C21 C20 P2 118.1(3) . . ?
C22 C21 C20 121.3(4) . . ?
C23 C22 C21 119.8(4) . . ?
C24 C23 C22 119.3(4) . . ?
C23 C24 C25 121.0(4) . . ?
C20 C25 C24 120.6(4) . . ?
C27 C26 C31 120.5(3) . . ?
C27 C26 N1 120.0(3) . . ?
C31 C26 N1 119.3(3) . . ?
C28 C27 C26 118.8(3) . . ?
C28 C27 C32 119.5(3) . . ?
C26 C27 C32 121.7(3) . . ?
C29 C28 C27 122.0(4) . . ?
C28 C29 C30 118.2(3) . . ?
C28 C29 C33 120.2(4) . . ?
C30 C29 C33 121.6(4) . . ?
C29 C30 C31 121.9(3) . . ?
C30 C31 C26 118.5(4) . . ?
C30 C31 C34 120.5(3) . . ?
C26 C31 C34 121.0(3) . . ?
C36 C35 C40 119.5(3) . . ?
C36 C35 N2 119.5(3) . . ?
C40 C35 N2 120.8(3) . . ?
C37 C36 C35 118.9(3) . . ?
C37 C36 C41 119.7(4) . . ?
C35 C36 C41 121.3(3) . . ?
C38 C37 C36 122.4(4) . . ?
C39 C38 C37 117.2(4) . . ?
C39 C38 C42 121.6(4) . . ?
C37 C38 C42 121.1(4) . . ?
C38 C39 C40 123.1(4) . . ?
C39 C40 C35 118.6(3) . . ?
C39 C40 C43 119.8(3) . . ?
C35 C40 C43 121.6(3) . . ?
O C44 C49 121.6(4) . . ?
O C44 C45 120.8(3) . . ?
C49 C44 C45 117.6(3) . . ?
C46 C45 C44 118.0(3) . . ?
C46 C45 C50 121.6(3) . . ?
C44 C45 C50 120.4(3) . . ?
C45 C46 C47 124.9(4) . . ?
C48 C47 C46 116.0(3) . . ?
C48 C47 C54 122.0(3) . . ?
C46 C47 C54 122.0(4) . . ?
C47 C48 C49 120.8(4) . . ?
C44 C49 C48 122.7(4) . . ?
C53 C50 C51 107.1(3) . . ?
C53 C50 C52 108.4(3) . . ?
C51 C50 C52 109.5(3) . . ?
C53 C50 C45 112.2(3) . . ?
C51 C50 C45 110.0(3) . . ?
C52 C50 C45 109.6(3) . . ?
C56 C54 C55A 125.3(10) . . ?
C56 C54 C56A 20.7(12) . . ?
C55A C54 C56A 110.1(12) . . ?
C56 C54 C57 111.0(6) . . ?
C55A C54 C57 79.1(8) . . ?
C56A C54 C57 125.5(16) . . ?
C56 C54 C47 110.4(4) . . ?
C57 C54 C47 112.0(4) . . ?
C56 C54 C55 105.4(5) . . ?
C57 C54 C55 107.9(5) . . ?
C47 C54 C55 109.9(4) . . ?
C55A C54 C57A 105.6(9) . . ?
C56A C54 C57A 105.5(11) . . ?
C47 C54 C57A 109.0(12) . . ?
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 1.837(3) . ?
Zn N1 1.928(3) . ?
Zn N2 1.937(2) . ?
P1 N1 1.630(3) . ?
P1 C1 1.712(3) . ?
P1 C2 1.809(4) . ?
P1 C8 1.812(4) . ?
P2 N2 1.637(3) . ?
P2 C1 1.709(3) . ?
P2 C20 1.820(4) . ?
P2 C14 1.820(3) . ?
O C44 1.329(4) . ?
N1 C26 1.452(4) . ?
N2 C35 1.448(4) . ?
C2 C7 1.381(5) . ?
C2 C3 1.390(5) . ?
C3 C4 1.383(5) . ?
C4 C5 1.369(6) . ?
C5 C6 1.375(6) . ?
C6 C7 1.389(5) . ?
C8 C9 1.387(5) . ?
C8 C13 1.393(5) . ?
C9 C10 1.389(5) . ?
C10 C11 1.370(6) . ?
C11 C12 1.378(6) . ?
C12 C13 1.382(5) . ?
C14 C15 1.374(5) . ?
C14 C19 1.403(5) . ?
C15 C16 1.399(5) . ?
C16 C17 1.373(6) . ?
C17 C18 1.374(6) . ?
C18 C19 1.391(5) . ?
C20 C25 1.378(5) . ?
C20 C21 1.395(5) . ?
C21 C22 1.388(5) . ?
C22 C23 1.377(6) . ?
C23 C24 1.375(6) . ?
C24 C25 1.387(6) . ?
C26 C27 1.394(5) . ?
C26 C31 1.403(5) . ?
C27 C28 1.391(5) . ?
C27 C32 1.512(5) . ?
C28 C29 1.382(5) . ?
C29 C30 1.387(5) . ?
C29 C33 1.521(5) . ?
C30 C31 1.394(5) . ?
C31 C34 1.498(5) . ?
C35 C36 1.400(5) . ?
C35 C40 1.401(5) . ?
C36 C37 1.391(5) . ?
C36 C41 1.515(5) . ?
C37 C38 1.380(5) . ?
C38 C39 1.374(5) . ?
C38 C42 1.527(6) . ?
C39 C40 1.388(5) . ?
C40 C43 1.505(5) . ?
C44 C49 1.391(5) . ?
C44 C45 1.416(5) . ?
C45 C46 1.389(5) . ?
C45 C50 1.543(5) . ?
C46 C47 1.396(5) . ?
C47 C48 1.386(5) . ?
C47 C54 1.531(5) . ?
C48 C49 1.394(5) . ?
C50 C53 1.529(5) . ?
C50 C51 1.532(5) . ?
C50 C52 1.538(5) . ?
C54 C56 1.506(6) . ?
C54 C55A 1.506(12) . ?
C54 C56A 1.515(14) . ?
C54 C57 1.516(7) . ?
C54 C55 1.558(8) . ?
C54 C57A 1.572(13) . ?
