#------------------------------------------------------------------------------
#$Date: 2025-10-06 10:57:18 +0300 (Mon, 06 Oct 2025) $
#$Revision: 302540 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/52/1575216.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_1575216
loop_
_publ_author_name
'Jiang, Shengjie'
'Wang, Ganping'
'Cai, Yanping'
'Maron, Laurent'
'Xu, Xin'
_publ_section_title
;
 Zinc substituted carbenes: synthesis, structure, and ambiphilic
 reactivity.
;
_journal_issue                   34
_journal_name_full               'Chemical science'
_journal_page_first              15462
_journal_page_last               15468
_journal_paper_doi               10.1039/d5sc03342j
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C58 H79 N4 Ni P Zn, C3 H7'
_chemical_formula_sum            'C61 H86 N4 Ni P Zn'
_chemical_formula_weight         1030.38
_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   geom
_audit_creation_date             2024-10-09
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-04-14 deposited with the CCDC.	2025-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                98.574(2)
_cell_angle_beta                 98.849(2)
_cell_angle_gamma                105.039(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4773(7)
_cell_length_b                   12.3292(7)
_cell_length_c                   21.4352(12)
_cell_measurement_reflns_used    9864
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.90
_cell_volume                     2837.1(3)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            67362
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.551
_diffrn_reflns_theta_min         2.829
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1227 before and 0.0832 after correction.
The Ratio of minimum to maximum transmission is 0.7656.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_description       block
_exptl_crystal_F_000             1106
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.453
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     630
_refine_ls_number_reflns         13016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0524
_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)+(0.0326P)²+4.6601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1102
_refine_ls_wR_factor_ref         0.1218
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10331
_reflns_number_total             13016
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc03342j2.cif
_cod_data_source_block           Complex_9
_cod_depositor_comments
'Adding full bibliography for 1575210--1575219.cif.'
_cod_database_code               1575216
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.821
_shelx_estimated_absorpt_t_min   0.790
_olex2_refinement_description
;
1.a Ternary CH refined with riding coordinates:
 C41(H41), C56(H56), C31(H31), C44(H44), C53(H53), C32(H32), C27(H27), C28(H28)
1.b Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C34(H34A,H34B), C61(H61A,H61B), C60(H60A,H60B), C30(H30A,
 H30B), C26(H26A,H26B), C25(H25A,H25B), C29(H29A,H29B)
1.c Aromatic/amide H refined with riding coordinates:
 C37(H37), C4(H4), C38(H38), C18(H18), C9(H9), C39(H39), C20(H20), C11(H11),
 C51(H51), C50(H50), C49(H49)
1.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C2(H2A,H2B,H2C), C15(H15A,H15B,H15C), C13(H13A,H13B,
 H13C), C42(H42A,H42B,H42C), C23(H23A,H23B,H23C), C6(H6A,H6B,H6C), C24(H24A,
 H24B,H24C), C14(H14A,H14B,H14C), C59(H59A,H59B,H59C), C55(H55A,H55B,H55C),
 C43(H43A,H43B,H43C), C54(H54A,H54B,H54C), C58(H58A,H58B,H58C), C57(H57A,H57B,
 H57C), C46(H46A,H46B,H46C), C45(H45A,H45B,H45C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.68747(3) 0.47740(3) 0.24330(2) 0.02056(8) Uani 1 1 d . . . . .
Ni1 Ni 0.55955(3) 0.17741(3) 0.20562(2) 0.02446(9) Uani 1 1 d . . . . .
P1 P 0.44019(6) 0.26034(6) 0.24746(3) 0.01873(14) Uani 1 1 d . . . . .
N1 N 0.7672(2) 0.61837(19) 0.30949(10) 0.0224(5) Uani 1 1 d . . . . .
N2 N 0.7432(2) 0.54425(19) 0.17074(10) 0.0226(5) Uani 1 1 d . . . . .
N3 N 0.3136(2) 0.30634(19) 0.22706(10) 0.0218(5) Uani 1 1 d . . . . .
N4 N 0.3853(2) 0.21634(19) 0.31157(11) 0.0217(5) Uani 1 1 d . . . . .
C36 C 0.3090(2) 0.4669(2) 0.17243(13) 0.0223(5) Uani 1 1 d . . . . .
C16 C 0.7530(2) 0.4704(2) 0.11436(12) 0.0217(5) Uani 1 1 d . . . . .
C37 C 0.2728(3) 0.5057(2) 0.11683(14) 0.0262(6) Uani 1 1 d . . . . .
H37 H 0.291152 0.585768 0.118109 0.031 Uiso 1 1 calc R U . . .
C17 C 0.6483(3) 0.4154(2) 0.06588(13) 0.0234(6) Uani 1 1 d . . . . .
C8 C 0.7133(3) 0.5986(2) 0.41507(13) 0.0267(6) Uani 1 1 d . . . . .
C7 C 0.8016(2) 0.6154(2) 0.37645(12) 0.0231(6) Uani 1 1 d . . . . .
C4 C 0.7914(2) 0.7378(2) 0.22970(12) 0.0226(5) Uani 1 1 d . . . . .
H4 H 0.800462 0.814186 0.223864 0.027 Uiso 1 1 calc R U . . .
C38 C 0.2106(3) 0.4302(3) 0.05976(13) 0.0271(6) Uani 1 1 d . . . . .
H38 H 0.186484 0.458144 0.022340 0.033 Uiso 1 1 calc R U . . .
C3 C 0.7928(2) 0.7210(2) 0.29292(13) 0.0237(6) Uani 1 1 d . . . . .
C18 C 0.6612(3) 0.3411(2) 0.01307(13) 0.0267(6) Uani 1 1 d . . . . .
H18 H 0.591100 0.302959 -0.020159 0.032 Uiso 1 1 calc R U . . .
C9 C 0.7516(3) 0.6000(3) 0.48012(13) 0.0296(6) Uani 1 1 d . . . . .
H9 H 0.692197 0.590933 0.506736 0.036 Uiso 1 1 calc R U . . .
C33 C 0.2202(3) 0.2800(3) 0.26601(14) 0.0273(6) Uani 1 1 d . . . . .
H33A H 0.155068 0.208158 0.245035 0.033 Uiso 1 1 calc R U . . .
H33B H 0.181934 0.342934 0.273005 0.033 Uiso 1 1 calc R U . . .
C5 C 0.7784(2) 0.6566(2) 0.17375(13) 0.0232(6) Uani 1 1 d . . . . .
C35 C 0.2822(2) 0.3480(2) 0.16962(13) 0.0217(5) Uani 1 1 d . . . . .
C19 C 0.7733(3) 0.3213(2) 0.00773(13) 0.0286(6) Uani 1 1 d . . . . .
C40 C 0.2194(3) 0.2707(2) 0.11192(13) 0.0269(6) Uani 1 1 d . . . . .
C41 C 0.3766(3) 0.5525(2) 0.23426(14) 0.0274(6) Uani 1 1 d . . . . .
H41 H 0.422675 0.512584 0.261943 0.033 Uiso 1 1 calc R U . . .
C34 C 0.2906(3) 0.2670(2) 0.32937(13) 0.0260(6) Uani 1 1 d . . . . .
H34A H 0.328288 0.342431 0.358667 0.031 Uiso 1 1 calc R U . . .
H34B H 0.235281 0.216309 0.351008 0.031 Uiso 1 1 calc R U . . .
C39 C 0.1841(3) 0.3140(3) 0.05794(13) 0.0288(6) Uani 1 1 d . . . . .
H39 H 0.140736 0.262252 0.018933 0.035 Uiso 1 1 calc R U . . .
C22 C 0.5260(3) 0.4338(3) 0.07125(14) 0.0327(7) Uani 1 1 d . . . . .
H22A H 0.499358 0.405311 0.108577 0.049 Uiso 1 1 calc R U . . .
H22B H 0.465243 0.392328 0.032054 0.049 Uiso 1 1 calc R U . . .
H22C H 0.533383 0.515804 0.076644 0.049 Uiso 1 1 calc R U . . .
C2 C 0.8255(3) 0.8273(2) 0.34505(13) 0.0299(6) Uani 1 1 d . . . . .
H2A H 0.762246 0.820089 0.371352 0.045 Uiso 1 1 calc R U . . .
H2B H 0.830008 0.894553 0.325244 0.045 Uiso 1 1 calc R U . . .
H2C H 0.905466 0.836087 0.372347 0.045 Uiso 1 1 calc R U . . .
C12 C 0.9247(3) 0.6268(2) 0.40204(13) 0.0265(6) Uani 1 1 d . . . . .
C52 C 0.5166(3) 0.1440(2) 0.38560(14) 0.0280(6) Uani 1 1 d . . . . .
C15 C 1.0207(3) 0.6405(3) 0.36053(15) 0.0368(7) Uani 1 1 d . . . . .
H15A H 1.024774 0.709382 0.342299 0.055 Uiso 1 1 calc R U . . .
H15B H 0.998346 0.573236 0.325551 0.055 Uiso 1 1 calc R U . . .
H15C H 1.101153 0.647728 0.386804 0.055 Uiso 1 1 calc R U . . .
C10 C 0.8735(3) 0.6143(3) 0.50735(13) 0.0307(6) Uani 1 1 d . . . . .
C20 C 0.8737(3) 0.3757(3) 0.05708(14) 0.0322(7) Uani 1 1 d . . . . .
H20 H 0.950560 0.361953 0.054239 0.039 Uiso 1 1 calc R U . . .
C13 C 0.5797(3) 0.5810(3) 0.38744(15) 0.0377(8) Uani 1 1 d . . . . .
H13A H 0.570142 0.649193 0.371388 0.057 Uiso 1 1 calc R U . . .
H13B H 0.531516 0.568040 0.421007 0.057 Uiso 1 1 calc R U . . .
H13C H 0.550465 0.514279 0.351917 0.057 Uiso 1 1 calc R U . . .
C21 C 0.8657(3) 0.4499(3) 0.11075(14) 0.0292(6) Uani 1 1 d . . . . .
C47 C 0.4104(2) 0.1231(2) 0.33829(13) 0.0218(5) Uani 1 1 d . . . . .
C11 C 0.9585(3) 0.6262(3) 0.46747(14) 0.0309(7) Uani 1 1 d . . . . .
H11 H 1.042184 0.634333 0.485139 0.037 Uiso 1 1 calc R U . . .
C42 C 0.2868(3) 0.5917(3) 0.27176(17) 0.0436(8) Uani 1 1 d . . . . .
H42A H 0.332912 0.643280 0.312356 0.065 Uiso 1 1 calc R U . . .
H42B H 0.229297 0.524778 0.280925 0.065 Uiso 1 1 calc R U . . .
H42C H 0.240762 0.632073 0.246046 0.065 Uiso 1 1 calc R U . . .
C56 C 0.6024(3) 0.2637(3) 0.41306(15) 0.0324(7) Uani 1 1 d . . . . .
H56 H 0.568875 0.318313 0.390890 0.039 Uiso 1 1 calc R U . . .
C23 C 0.7872(4) 0.2437(3) -0.05064(16) 0.0424(8) Uani 1 1 d . . . . .
H23A H 0.705495 0.198949 -0.075708 0.064 Uiso 1 1 calc R U . . .
H23B H 0.832897 0.191696 -0.036631 0.064 Uiso 1 1 calc R U . . .
H23C H 0.832141 0.290268 -0.077411 0.064 Uiso 1 1 calc R U . . .
C6 C 0.8073(3) 0.7032(3) 0.11478(14) 0.0349(7) Uani 1 1 d . . . . .
H6A H 0.884118 0.689810 0.105685 0.052 Uiso 1 1 calc R U . . .
H6B H 0.816649 0.785665 0.122582 0.052 Uiso 1 1 calc R U . . .
H6C H 0.740023 0.664344 0.077827 0.052 Uiso 1 1 calc R U . . .
C24 C 0.9759(3) 0.5033(4) 0.16493(16) 0.0469(9) Uani 1 1 d . . . . .
H24A H 0.999343 0.586777 0.169472 0.070 Uiso 1 1 calc R U . . .
H24B H 1.044795 0.474965 0.155413 0.070 Uiso 1 1 calc R U . . .
H24C H 0.955191 0.482739 0.205142 0.070 Uiso 1 1 calc R U . . .
C51 C 0.5415(3) 0.0512(3) 0.40942(16) 0.0383(8) Uani 1 1 d . . . . .
H51 H 0.615062 0.063359 0.440147 0.046 Uiso 1 1 calc R U . . .
C14 C 0.9135(3) 0.6201(3) 0.57879(14) 0.0430(8) Uani 1 1 d . . . . .
H14A H 0.984622 0.590272 0.586078 0.064 Uiso 1 1 calc R U . . .
H14B H 0.845507 0.573950 0.594799 0.064 Uiso 1 1 calc R U . . .
H14C H 0.936151 0.699896 0.601716 0.064 Uiso 1 1 calc R U . . .
C1 C 0.5820(2) 0.3327(2) 0.24703(13) 0.0240(6) Uani 1 1 d . . . . .
C31 C 0.6986(3) 0.1855(3) 0.14827(16) 0.0381(8) Uani 1 1 d . . . . .
H31 H 0.729667 0.261483 0.136098 0.046 Uiso 1 1 calc R U . . .
C50 C 0.4612(3) -0.0580(3) 0.38912(17) 0.0423(8) Uani 1 1 d . . . . .
H50 H 0.479212 -0.119982 0.406186 0.051 Uiso 1 1 calc R U . . .
C49 C 0.3548(3) -0.0767(3) 0.34396(15) 0.0357(7) Uani 1 1 d . . . . .
H49 H 0.298817 -0.151565 0.331019 0.043 Uiso 1 1 calc R U . . .
C44 C 0.1893(4) 0.1420(3) 0.10571(16) 0.0467(9) Uani 1 1 d . . . . .
H44 H 0.232022 0.126423 0.146275 0.056 Uiso 1 1 calc R U . . .
C48 C 0.3280(3) 0.0122(2) 0.31710(13) 0.0258(6) Uani 1 1 d . . . . .
C59 C 0.7246(4) 0.9070(3) 0.51591(18) 0.0514(9) Uani 1 1 d . . . . .
H59A H 0.704279 0.838021 0.482255 0.077 Uiso 1 1 calc R U . . .
H59B H 0.652988 0.936468 0.515181 0.077 Uiso 1 1 calc R U . . .
H59C H 0.747106 0.888053 0.558070 0.077 Uiso 1 1 calc R U . . .
C53 C 0.2125(3) -0.0131(2) 0.26534(14) 0.0304(6) Uani 1 1 d . . . . .
H53 H 0.221925 0.053021 0.242742 0.037 Uiso 1 1 calc R U . . .
C55 C 0.0975(3) -0.0236(3) 0.29450(18) 0.0455(9) Uani 1 1 d . . . . .
H55A H 0.025812 -0.034777 0.260262 0.068 Uiso 1 1 calc R U . . .
H55B H 0.108573 0.046581 0.325890 0.068 Uiso 1 1 calc R U . . .
H55C H 0.084578 -0.089217 0.316040 0.068 Uiso 1 1 calc R U . . .
C32 C 0.7488(3) 0.1801(3) 0.20923(19) 0.0417(8) Uani 1 1 d . . . . .
H32 H 0.810516 0.252603 0.234268 0.050 Uiso 1 1 calc R U . . .
C27 C 0.5329(3) 0.0068(3) 0.21073(19) 0.0413(8) Uani 1 1 d . . . . .
H27 H 0.470468 -0.022769 0.236547 0.050 Uiso 1 1 calc R U . . .
C43 C 0.4698(3) 0.6563(3) 0.22296(17) 0.0432(8) Uani 1 1 d . . . . .
H43A H 0.426653 0.701321 0.199252 0.065 Uiso 1 1 calc R U . . .
H43B H 0.525796 0.631036 0.197851 0.065 Uiso 1 1 calc R U . . .
H43C H 0.517170 0.703694 0.264497 0.065 Uiso 1 1 calc R U . . .
C61 C 0.9483(3) 0.9619(3) 0.51096(16) 0.0466(9) Uani 1 1 d . . . . .
H61A H 0.975889 0.960348 0.556824 0.056 Uiso 1 1 calc R U . . .
H61B H 0.930126 0.883011 0.486034 0.056 Uiso 1 1 calc R U . . .
C54 C 0.1920(3) -0.1211(3) 0.21469(16) 0.0440(8) Uani 1 1 d . . . . .
H54A H 0.171983 -0.188666 0.234428 0.066 Uiso 1 1 calc R U . . .
H54B H 0.267016 -0.117365 0.197575 0.066 Uiso 1 1 calc R U . . .
H54C H 0.123703 -0.126683 0.179569 0.066 Uiso 1 1 calc R U . . .
C58 C 0.6038(4) 0.2963(3) 0.48508(19) 0.0632(12) Uani 1 1 d . . . . .
H58A H 0.520166 0.292590 0.491254 0.095 Uiso 1 1 calc R U . . .
H58B H 0.658019 0.374264 0.502172 0.095 Uiso 1 1 calc R U . . .
H58C H 0.634283 0.242683 0.507879 0.095 Uiso 1 1 calc R U . . .
C57 C 0.7326(3) 0.2769(3) 0.40168(19) 0.0493(9) Uani 1 1 d . . . . .
H57A H 0.768907 0.226402 0.424336 0.074 Uiso 1 1 calc R U . . .
H57B H 0.782660 0.356603 0.417957 0.074 Uiso 1 1 calc R U . . .
H57C H 0.729949 0.256240 0.355429 0.074 Uiso 1 1 calc R U . . .
C28 C 0.4835(4) 0.0139(3) 0.14995(17) 0.0471(9) Uani 1 1 d . . . . .
H28 H 0.391409 -0.011284 0.139392 0.057 Uiso 1 1 calc R U . . .
C60 C 0.8310(4) 0.9966(3) 0.50399(19) 0.0497(9) Uani 1 1 d . . . . .
H60A H 0.844526 1.069101 0.534832 0.060 Uiso 1 1 calc R U . . .
H60B H 0.810257 1.010892 0.459967 0.060 Uiso 1 1 calc R U . . .
C46 C 0.2370(5) 0.0885(4) 0.05001(19) 0.0783(16) Uani 1 1 d . . . . .
H46A H 0.195889 0.101768 0.009492 0.117 Uiso 1 1 calc R U . . .
H46B H 0.219877 0.005919 0.048428 0.117 Uiso 1 1 calc R U . . .
H46C H 0.326100 0.123406 0.056231 0.117 Uiso 1 1 calc R U . . .
C45 C 0.0503(4) 0.0890(4) 0.0993(2) 0.0823(17) Uani 1 1 d . . . . .
H45A H 0.023245 0.124920 0.136173 0.123 Uiso 1 1 calc R U . . .
H45B H 0.032651 0.006517 0.098150 0.123 Uiso 1 1 calc R U . . .
H45C H 0.006208 0.101794 0.059381 0.123 Uiso 1 1 calc R U . . .
C30 C 0.6545(5) 0.0854(4) 0.0925(2) 0.0683(14) Uani 1 1 d . . . . .
H30A H 0.643033 0.115456 0.052397 0.082 Uiso 1 1 calc R U . . .
H30B H 0.720674 0.047683 0.090959 0.082 Uiso 1 1 calc R U . . .
C26 C 0.6543(4) -0.0153(4) 0.2304(3) 0.0802(17) Uani 1 1 d . . . . .
H26A H 0.658933 -0.032097 0.274284 0.096 Uiso 1 1 calc R U . . .
H26B H 0.654410 -0.085608 0.201260 0.096 Uiso 1 1 calc R U . . .
C25 C 0.7644(4) 0.0725(4) 0.2306(3) 0.0801(16) Uani 1 1 d . . . . .
H25A H 0.812161 0.039083 0.202462 0.096 Uiso 1 1 calc R U . . .
H25B H 0.814543 0.094716 0.274900 0.096 Uiso 1 1 calc R U . . .
C29 C 0.5425(5) -0.0008(5) 0.0924(2) 0.095(2) Uani 1 1 d . . . . .
H29A H 0.559786 -0.075837 0.088060 0.114 Uiso 1 1 calc R U . . .
H29B H 0.481611 -0.004014 0.053489 0.114 Uiso 1 1 calc R 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'
Ni Ni 0.3393 1.1124 '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
N1 Zn1 N2 95.35(9) . . ?
C1 Zn1 N1 132.06(11) . . ?
C1 Zn1 N2 132.38(10) . . ?
P1 Ni1 C31 147.66(9) . . ?
P1 Ni1 C32 144.38(10) . . ?
C1 Ni1 P1 47.44(8) . . ?
C1 Ni1 C31 105.72(12) . . ?
C1 Ni1 C32 99.96(13) . . ?
C1 Ni1 C27 149.81(14) . . ?
C1 Ni1 C28 162.74(15) . . ?
C31 Ni1 C32 36.93(13) . . ?
C27 Ni1 P1 116.52(10) . . ?
C27 Ni1 C31 95.49(13) . . ?
C27 Ni1 C32 84.14(13) . . ?
C27 Ni1 C28 38.44(15) . . ?
C28 Ni1 P1 118.33(11) . . ?
C28 Ni1 C31 83.49(13) . . ?
C28 Ni1 C32 96.08(15) . . ?
N3 P1 Ni1 141.61(8) . . ?
N4 P1 Ni1 118.91(8) . . ?
N4 P1 N3 89.84(11) . . ?
C1 P1 Ni1 59.40(10) . . ?
C1 P1 N3 124.48(13) . . ?
C1 P1 N4 126.86(13) . . ?
C7 N1 Zn1 122.11(18) . . ?
C3 N1 Zn1 120.50(18) . . ?
C3 N1 C7 117.4(2) . . ?
C16 N2 Zn1 119.70(17) . . ?
C5 N2 Zn1 121.86(18) . . ?
C5 N2 C16 118.3(2) . . ?
C33 N3 P1 115.28(18) . . ?
C35 N3 P1 125.87(18) . . ?
C35 N3 C33 117.8(2) . . ?
C34 N4 P1 113.52(17) . . ?
C47 N4 P1 123.94(18) . . ?
C47 N4 C34 121.5(2) . . ?
C37 C36 C35 118.6(2) . . ?
C37 C36 C41 120.0(2) . . ?
C35 C36 C41 121.5(2) . . ?
C17 C16 N2 119.9(2) . . ?
C21 C16 N2 118.9(2) . . ?
C21 C16 C17 121.1(2) . . ?
C36 C37 H37 119.2 . . ?
C38 C37 C36 121.5(3) . . ?
C38 C37 H37 119.2 . . ?
C16 C17 C22 121.0(2) . . ?
C18 C17 C16 117.9(3) . . ?
C18 C17 C22 121.1(2) . . ?
C7 C8 C13 120.9(3) . . ?
C9 C8 C7 118.7(3) . . ?
C9 C8 C13 120.3(3) . . ?
C8 C7 N1 120.8(2) . . ?
C8 C7 C12 120.4(3) . . ?
C12 C7 N1 118.8(2) . . ?
C3 C4 H4 115.7 . . ?
C3 C4 C5 128.6(3) . . ?
C5 C4 H4 115.7 . . ?
C37 C38 H38 120.4 . . ?
C39 C38 C37 119.2(3) . . ?
C39 C38 H38 120.4 . . ?
N1 C3 C4 124.3(2) . . ?
N1 C3 C2 118.9(2) . . ?
C4 C3 C2 116.8(2) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 C17 122.0(3) . . ?
C19 C18 H18 119.0 . . ?
C8 C9 H9 118.9 . . ?
C10 C9 C8 122.2(3) . . ?
C10 C9 H9 118.9 . . ?
N3 C33 H33A 110.9 . . ?
N3 C33 H33B 110.9 . . ?
N3 C33 C34 104.3(2) . . ?
H33A C33 H33B 108.9 . . ?
C34 C33 H33A 110.9 . . ?
C34 C33 H33B 110.9 . . ?
N2 C5 C4 123.6(2) . . ?
N2 C5 C6 119.9(2) . . ?
C4 C5 C6 116.5(2) . . ?
C36 C35 N3 119.4(2) . . ?
C40 C35 N3 120.2(2) . . ?
C40 C35 C36 120.3(2) . . ?
C18 C19 C23 121.5(3) . . ?
C20 C19 C18 118.2(3) . . ?
C20 C19 C23 120.2(3) . . ?
C35 C40 C44 122.7(3) . . ?
C39 C40 C35 118.8(3) . . ?
C39 C40 C44 118.5(3) . . ?
C36 C41 H41 107.5 . . ?
C36 C41 C42 111.5(2) . . ?
C42 C41 H41 107.5 . . ?
C43 C41 C36 113.1(2) . . ?
C43 C41 H41 107.5 . . ?
C43 C41 C42 109.6(3) . . ?
N4 C34 C33 105.0(2) . . ?
N4 C34 H34A 110.7 . . ?
N4 C34 H34B 110.7 . . ?
C33 C34 H34A 110.7 . . ?
C33 C34 H34B 110.7 . . ?
H34A C34 H34B 108.8 . . ?
C38 C39 C40 121.6(3) . . ?
C38 C39 H39 119.2 . . ?
C40 C39 H39 119.2 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C7 C12 C15 121.2(3) . . ?
C11 C12 C7 118.7(3) . . ?
C11 C12 C15 120.1(3) . . ?
C47 C52 C56 122.3(3) . . ?
C51 C52 C47 118.3(3) . . ?
C51 C52 C56 119.4(3) . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C10 C11 117.9(3) . . ?
C9 C10 C14 121.1(3) . . ?
C11 C10 C14 121.0(3) . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.1(3) . . ?
C21 C20 H20 118.9 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C21 C24 120.9(3) . . ?
C20 C21 C16 118.6(3) . . ?
C20 C21 C24 120.4(3) . . ?
C52 C47 N4 119.2(2) . . ?
C52 C47 C48 120.9(3) . . ?
C48 C47 N4 119.9(2) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 C12 121.9(3) . . ?
C10 C11 H11 119.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C52 C56 H56 107.7 . . ?
C52 C56 C58 110.1(3) . . ?
C52 C56 C57 112.8(3) . . ?
C58 C56 H56 107.7 . . ?
C57 C56 H56 107.7 . . ?
C57 C56 C58 110.6(3) . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C52 C51 H51 119.4 . . ?
C50 C51 C52 121.2(3) . . ?
C50 C51 H51 119.4 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Zn1 C1 Ni1 134.62(15) . . ?
P1 C1 Zn1 145.25(18) . . ?
P1 C1 Ni1 73.16(11) . . ?
Ni1 C31 H31 114.5 . . ?
C32 C31 Ni1 71.61(18) . . ?
C32 C31 H31 114.5 . . ?
C32 C31 C30 124.4(3) . . ?
C30 C31 Ni1 109.0(2) . . ?
C30 C31 H31 114.5 . . ?
C51 C50 H50 120.1 . . ?
C49 C50 C51 119.8(3) . . ?
C49 C50 H50 120.1 . . ?
C50 C49 H49 119.4 . . ?
C50 C49 C48 121.1(3) . . ?
C48 C49 H49 119.4 . . ?
C40 C44 H44 107.8 . . ?
C40 C44 C46 111.2(3) . . ?
C40 C44 C45 110.2(3) . . ?
C46 C44 H44 107.8 . . ?
C46 C44 C45 111.9(4) . . ?
C45 C44 H44 107.8 . . ?
C47 C48 C53 122.0(2) . . ?
C49 C48 C47 118.6(3) . . ?
C49 C48 C53 119.4(3) . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
C48 C53 H53 107.6 . . ?
C48 C53 C55 111.6(3) . . ?
C48 C53 C54 113.4(3) . . ?
C55 C53 H53 107.6 . . ?
C54 C53 H53 107.6 . . ?
C54 C53 C55 108.9(3) . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
Ni1 C32 H32 114.7 . . ?
C31 C32 Ni1 71.46(19) . . ?
C31 C32 H32 114.7 . . ?
C31 C32 C25 124.9(4) . . ?
C25 C32 Ni1 107.6(2) . . ?
C25 C32 H32 114.7 . . ?
Ni1 C27 H27 114.1 . . ?
C28 C27 Ni1 71.0(2) . . ?
C28 C27 H27 114.1 . . ?
C28 C27 C26 125.2(4) . . ?
C26 C27 Ni1 110.1(2) . . ?
C26 C27 H27 114.1 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C61 C61 H61A 108.6 2_776 . ?
C61 C61 H61B 108.6 2_776 . ?
C61 C61 C60 114.8(4) 2_776 . ?
H61A C61 H61B 107.5 . . ?
C60 C61 H61A 108.6 . . ?
C60 C61 H61B 108.6 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Ni1 C28 H28 114.1 . . ?
C27 C28 Ni1 70.53(19) . . ?
C27 C28 H28 114.1 . . ?
C27 C28 C29 124.9(4) . . ?
C29 C28 Ni1 110.9(3) . . ?
C29 C28 H28 114.1 . . ?
C59 C60 C61 112.5(3) . . ?
C59 C60 H60A 109.1 . . ?
C59 C60 H60B 109.1 . . ?
C61 C60 H60A 109.1 . . ?
C61 C60 H60B 109.1 . . ?
H60A C60 H60B 107.8 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C31 C30 H30A 108.0 . . ?
C31 C30 H30B 108.0 . . ?
H30A C30 H30B 107.2 . . ?
C29 C30 C31 117.2(3) . . ?
C29 C30 H30A 108.0 . . ?
C29 C30 H30B 108.0 . . ?
C27 C26 H26A 107.8 . . ?
C27 C26 H26B 107.8 . . ?
H26A C26 H26B 107.1 . . ?
C25 C26 C27 118.2(3) . . ?
C25 C26 H26A 107.8 . . ?
C25 C26 H26B 107.8 . . ?
C32 C25 H25A 108.0 . . ?
C32 C25 H25B 108.0 . . ?
C26 C25 C32 117.1(3) . . ?
C26 C25 H25A 108.0 . . ?
C26 C25 H25B 108.0 . . ?
H25A C25 H25B 107.3 . . ?
C28 C29 H29A 108.0 . . ?
C28 C29 H29B 108.0 . . ?
C30 C29 C28 117.1(3) . . ?
C30 C29 H29A 108.0 . . ?
C30 C29 H29B 108.0 . . ?
H29A C29 H29B 107.3 . . ?
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
Zn1 N1 1.978(2) . ?
Zn1 N2 1.981(2) . ?
Zn1 C1 1.899(3) . ?
Ni1 P1 2.1350(8) . ?
Ni1 C1 1.920(3) . ?
Ni1 C31 2.151(3) . ?
Ni1 C32 2.153(3) . ?
Ni1 C27 2.067(3) . ?
Ni1 C28 2.074(3) . ?
P1 N3 1.712(2) . ?
P1 N4 1.700(2) . ?
P1 C1 1.643(3) . ?
N1 C7 1.438(3) . ?
N1 C3 1.337(4) . ?
N2 C16 1.438(3) . ?
N2 C5 1.328(4) . ?
N3 C33 1.458(3) . ?
N3 C35 1.435(3) . ?
N4 C34 1.458(3) . ?
N4 C47 1.431(3) . ?
C36 C37 1.394(4) . ?
C36 C35 1.406(4) . ?
C36 C41 1.521(4) . ?
C16 C17 1.402(4) . ?
C16 C21 1.393(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.386(4) . ?
C17 C18 1.399(4) . ?
C17 C22 1.497(4) . ?
C8 C7 1.398(4) . ?
C8 C9 1.392(4) . ?
C8 C13 1.502(4) . ?
C7 C12 1.398(4) . ?
C4 H4 0.9500 . ?
C4 C3 1.399(4) . ?
C4 C5 1.404(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.378(4) . ?
C3 C2 1.512(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.523(4) . ?
C5 C6 1.511(4) . ?
C35 C40 1.406(4) . ?
C19 C20 1.381(4) . ?
C19 C23 1.513(4) . ?
C40 C39 1.393(4) . ?
C40 C44 1.515(4) . ?
C41 H41 1.0000 . ?
C41 C42 1.529(4) . ?
C41 C43 1.518(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C39 H39 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C12 C15 1.511(4) . ?
C12 C11 1.398(4) . ?
C52 C47 1.400(4) . ?
C52 C56 1.518(4) . ?
C52 C51 1.397(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C10 C11 1.387(4) . ?
C10 C14 1.515(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 C24 1.506(4) . ?
C47 C48 1.408(4) . ?
C11 H11 0.9500 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C56 H56 1.0000 . ?
C56 C58 1.533(5) . ?
C56 C57 1.522(5) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C51 H51 0.9500 . ?
C51 C50 1.382(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C31 H31 1.0000 . ?
C31 C32 1.363(5) . ?
C31 C30 1.503(5) . ?
C50 H50 0.9500 . ?
C50 C49 1.381(5) . ?
C49 H49 0.9500 . ?
C49 C48 1.391(4) . ?
C44 H44 1.0000 . ?
C44 C46 1.521(6) . ?
C44 C45 1.535(6) . ?
C48 C53 1.522(4) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C59 C60 1.503(5) . ?
C53 H53 1.0000 . ?
C53 C55 1.528(4) . ?
C53 C54 1.528(4) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C32 H32 1.0000 . ?
C32 C25 1.510(5) . ?
C27 H27 1.0000 . ?
C27 C28 1.363(5) . ?
C27 C26 1.497(5) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C61 C61 1.495(7) 2_776 ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C60 1.508(5) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.506(5) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C29 1.439(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C25 1.434(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 N1 C7 C8 -77.8(3) . . . . ?
Zn1 N1 C7 C12 100.7(3) . . . . ?
Zn1 N1 C3 C4 -14.0(4) . . . . ?
Zn1 N1 C3 C2 165.82(19) . . . . ?
Zn1 N2 C16 C17 83.3(3) . . . . ?
Zn1 N2 C16 C21 -93.1(3) . . . . ?
Zn1 N2 C5 C4 6.7(4) . . . . ?
Zn1 N2 C5 C6 -173.5(2) . . . . ?
Ni1 P1 N3 C33 135.73(17) . . . . ?
Ni1 P1 N3 C35 -32.3(3) . . . . ?
Ni1 P1 N4 C34 -171.09(16) . . . . ?
Ni1 P1 N4 C47 -2.5(2) . . . . ?
Ni1 P1 C1 Zn1 148.3(3) . . . . ?
Ni1 C31 C32 C25 98.9(3) . . . . ?
Ni1 C31 C30 C29 -7.9(6) . . . . ?
Ni1 C32 C25 C26 12.7(6) . . . . ?
Ni1 C27 C28 C29 102.4(4) . . . . ?
Ni1 C27 C26 C25 -11.2(6) . . . . ?
Ni1 C28 C29 C30 13.4(7) . . . . ?
P1 N3 C33 C34 24.3(3) . . . . ?
P1 N3 C35 C36 -100.0(3) . . . . ?
P1 N3 C35 C40 83.3(3) . . . . ?
P1 N4 C34 C33 33.9(3) . . . . ?
P1 N4 C47 C52 87.3(3) . . . . ?
P1 N4 C47 C48 -93.0(3) . . . . ?
N1 Zn1 C1 Ni1 -145.29(17) . . . . ?
N1 Zn1 C1 P1 79.6(3) . . . . ?
N1 C7 C12 C15 -0.8(4) . . . . ?
N1 C7 C12 C11 178.7(3) . . . . ?
N2 Zn1 C1 Ni1 41.3(3) . . . . ?
N2 Zn1 C1 P1 -93.8(3) . . . . ?
N2 C16 C17 C18 -177.6(2) . . . . ?
N2 C16 C17 C22 1.0(4) . . . . ?
N2 C16 C21 C20 178.0(3) . . . . ?
N2 C16 C21 C24 0.4(4) . . . . ?
N3 P1 N4 C34 -17.7(2) . . . . ?
N3 P1 N4 C47 150.8(2) . . . . ?
N3 P1 C1 Zn1 14.0(4) . . . . ?
N3 P1 C1 Ni1 -134.31(11) . . . . ?
N3 C33 C34 N4 -34.4(3) . . . . ?
N3 C35 C40 C39 176.4(2) . . . . ?
N3 C35 C40 C44 -4.2(4) . . . . ?
N4 P1 N3 C33 -5.1(2) . . . . ?
N4 P1 N3 C35 -173.1(2) . . . . ?
N4 P1 C1 Zn1 -106.7(3) . . . . ?
N4 P1 C1 Ni1 104.98(13) . . . . ?
N4 C47 C48 C49 -180.0(3) . . . . ?
N4 C47 C48 C53 0.9(4) . . . . ?
C36 C37 C38 C39 -0.1(4) . . . . ?
C36 C35 C40 C39 -0.2(4) . . . . ?
C36 C35 C40 C44 179.2(3) . . . . ?
C16 N2 C5 C4 -169.8(2) . . . . ?
C16 N2 C5 C6 10.0(4) . . . . ?
C16 C17 C18 C19 -0.2(4) . . . . ?
C37 C36 C35 N3 -177.1(2) . . . . ?
C37 C36 C35 C40 -0.4(4) . . . . ?
C37 C36 C41 C42 84.5(3) . . . . ?
C37 C36 C41 C43 -39.5(4) . . . . ?
C37 C38 C39 C40 -0.6(4) . . . . ?
C17 C16 C21 C20 1.6(4) . . . . ?
C17 C16 C21 C24 -176.0(3) . . . . ?
C17 C18 C19 C20 1.2(4) . . . . ?
C17 C18 C19 C23 -177.9(3) . . . . ?
C8 C7 C12 C15 177.7(3) . . . . ?
C8 C7 C12 C11 -2.9(4) . . . . ?
C8 C9 C10 C11 -0.6(5) . . . . ?
C8 C9 C10 C14 177.6(3) . . . . ?
C7 N1 C3 C4 165.0(3) . . . . ?
C7 N1 C3 C2 -15.2(4) . . . . ?
C7 C8 C9 C10 -1.9(4) . . . . ?
C7 C12 C11 C10 0.3(5) . . . . ?
C3 N1 C7 C8 103.2(3) . . . . ?
C3 N1 C7 C12 -78.3(3) . . . . ?
C3 C4 C5 N2 12.5(5) . . . . ?
C3 C4 C5 C6 -167.3(3) . . . . ?
C18 C19 C20 C21 -0.9(5) . . . . ?
C9 C8 C7 N1 -177.9(3) . . . . ?
C9 C8 C7 C12 3.6(4) . . . . ?
C9 C10 C11 C12 1.4(5) . . . . ?
C33 N3 C35 C36 92.2(3) . . . . ?
C33 N3 C35 C40 -84.4(3) . . . . ?
C5 N2 C16 C17 -100.2(3) . . . . ?
C5 N2 C16 C21 83.4(3) . . . . ?
C5 C4 C3 N1 -8.2(5) . . . . ?
C5 C4 C3 C2 172.0(3) . . . . ?
C35 N3 C33 C34 -166.7(2) . . . . ?
C35 C36 C37 C38 0.6(4) . . . . ?
C35 C36 C41 C42 -95.7(3) . . . . ?
C35 C36 C41 C43 140.2(3) . . . . ?
C35 C40 C39 C38 0.8(4) . . . . ?
C35 C40 C44 C46 -126.0(3) . . . . ?
C35 C40 C44 C45 109.4(4) . . . . ?
C19 C20 C21 C16 -0.5(5) . . . . ?
C19 C20 C21 C24 177.1(3) . . . . ?
C41 C36 C37 C38 -179.7(3) . . . . ?
C41 C36 C35 N3 3.2(4) . . . . ?
C41 C36 C35 C40 179.9(3) . . . . ?
C34 N4 C47 C52 -105.0(3) . . . . ?
C34 N4 C47 C48 74.7(3) . . . . ?
C39 C40 C44 C46 53.5(4) . . . . ?
C39 C40 C44 C45 -71.2(4) . . . . ?
C22 C17 C18 C19 -178.8(3) . . . . ?
C52 C47 C48 C49 -0.3(4) . . . . ?
C52 C47 C48 C53 -179.5(3) . . . . ?
C52 C51 C50 C49 0.7(5) . . . . ?
C15 C12 C11 C10 179.8(3) . . . . ?
C13 C8 C7 N1 1.2(4) . . . . ?
C13 C8 C7 C12 -177.3(3) . . . . ?
C13 C8 C9 C10 179.0(3) . . . . ?
C21 C16 C17 C18 -1.3(4) . . . . ?
C21 C16 C17 C22 177.4(3) . . . . ?
C47 N4 C34 C33 -135.0(2) . . . . ?
C47 C52 C56 C58 116.3(3) . . . . ?
C47 C52 C56 C57 -119.7(3) . . . . ?
C47 C52 C51 C50 -2.7(5) . . . . ?
C47 C48 C53 C55 -101.4(3) . . . . ?
C47 C48 C53 C54 135.2(3) . . . . ?
C56 C52 C47 N4 4.2(4) . . . . ?
C56 C52 C47 C48 -175.4(3) . . . . ?
C56 C52 C51 C50 175.3(3) . . . . ?
C23 C19 C20 C21 178.3(3) . . . . ?
C51 C52 C47 N4 -177.8(3) . . . . ?
C51 C52 C47 C48 2.5(4) . . . . ?
C51 C52 C56 C58 -61.6(4) . . . . ?
C51 C52 C56 C57 62.4(4) . . . . ?
C51 C50 C49 C48 1.6(5) . . . . ?
C14 C10 C11 C12 -176.8(3) . . . . ?
C1 P1 N3 C33 -141.6(2) . . . . ?
C1 P1 N3 C35 50.4(3) . . . . ?
C1 P1 N4 C34 117.1(2) . . . . ?
C1 P1 N4 C47 -74.3(3) . . . . ?
C31 C32 C25 C26 -66.6(7) . . . . ?
C31 C30 C29 C28 -3.4(8) . . . . ?
C50 C49 C48 C47 -1.8(5) . . . . ?
C50 C49 C48 C53 177.4(3) . . . . ?
C49 C48 C53 C55 79.4(4) . . . . ?
C49 C48 C53 C54 -43.9(4) . . . . ?
C44 C40 C39 C38 -178.7(3) . . . . ?
C32 C31 C30 C29 72.4(6) . . . . ?
C27 C28 C29 C30 -66.9(7) . . . . ?
C27 C26 C25 C32 -1.5(8) . . . . ?
C61 C61 C60 C59 170.2(4) 2_776 . . . ?
C28 C27 C26 C25 69.3(7) . . . . ?
C30 C31 C32 Ni1 -100.8(3) . . . . ?
C30 C31 C32 C25 -1.9(6) . . . . ?
C26 C27 C28 Ni1 -101.7(3) . . . . ?
C26 C27 C28 C29 0.7(6) . . . . ?
