#------------------------------------------------------------------------------
#$Date: 2021-11-25 00:57:55 +0200 (Thu, 25 Nov 2021) $
#$Revision: 270862 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/92/7129296.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_7129296
loop_
_publ_author_name
'Jiang, Shengjie'
'Cai, Yanping'
'Carpentier, Ambre'
'del Rosal, Iker'
'Maron, Laurent'
'Xu, Xin'
_publ_section_title
;
 Nickel-catalyzed synthesis of Zn(i)--Zn(i) bonded compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC05719G
_journal_year                    2021
_chemical_formula_moiety         'C25 H43 N2 P Zn'
_chemical_formula_sum            'C25 H43 N2 P Zn'
_chemical_formula_weight         467.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2019-09-15
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-07-27 deposited with the CCDC.	2021-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.562(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.8843(11)
_cell_length_b                   10.2159(5)
_cell_length_c                   15.6744(9)
_cell_measurement_reflns_used    6769
_cell_measurement_temperature    223
_cell_measurement_theta_max      28.9900
_cell_measurement_theta_min      3.2120
_cell_volume                     2604.6(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      223
_diffrn_detector_area_resol_mean 10.4471
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.877
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -67.00   48.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       13.8077  -19.0000  -60.0000 115

#__ type_ start__ end____ width___ exp.time_
  2 omega   12.00   55.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       13.8077  -99.0000  -30.0000 43

#__ type_ start__ end____ width___ exp.time_
  3 omega  -12.00   15.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -       13.8077  -38.0000  -90.0000 27

#__ type_ start__ end____ width___ exp.time_
  4 omega   19.00   46.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.5889   38.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
  5 omega -105.00  -57.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -14.5889 -178.0000   90.0000 48
;
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0259551000
_diffrn_orient_matrix_UB_12      -0.0263152000
_diffrn_orient_matrix_UB_13      0.0443944000
_diffrn_orient_matrix_UB_21      0.0204684000
_diffrn_orient_matrix_UB_22      0.0610268000
_diffrn_orient_matrix_UB_23      0.0130882000
_diffrn_orient_matrix_UB_31      -0.0284366000
_diffrn_orient_matrix_UB_32      0.0200389000
_diffrn_orient_matrix_UB_33      0.0182642000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.877
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17437
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.877
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.237
_diffrn_reflns_theta_min         2.914
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.017
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         6825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0397
_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)+(0.0475P)²+0.6644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1073
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5260
_reflns_number_total             6825
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc05719g2.cif
_cod_data_source_block           Complex_1c
_cod_database_code               7129296
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H O N P Zn'
_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.
;
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C23(H23), C20(H20), C8(H8), C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C6(H6A,H6B)
2.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C16(H16), C17(H17), C3(H3)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C25(H25A,H25B,H25C), C24(H24A,H24B,H24C),
 C9(H9A,H9B,H9C), C22(H22A,H22B,H22C), C21(H21A,H21B,H21C), C10(H10A,H10B,H10C),
  C13(H13A,H13B,H13C), C12(H12A,H12B,H12C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.80455(2) 0.33802(2) 0.49825(2) 0.03633(9) Uani 1 1 d . . . . .
H H 0.8129(12) 0.254(2) 0.3973(15) 0.046(6) Uiso 1 1 d . . . . .
P1 P 0.71158(3) 0.19681(5) 0.55776(4) 0.03907(14) Uani 1 1 d . . . . .
N1 N 0.79789(9) 0.53003(16) 0.51301(10) 0.0294(3) Uani 1 1 d . . . . .
N2 N 0.87922(10) 0.30251(18) 0.63231(12) 0.0365(4) Uani 1 1 d . . . . .
C15 C 0.67189(11) 0.60820(19) 0.38380(13) 0.0321(4) Uani 1 1 d . . . . .
C23 C 0.89932(13) 0.6598(2) 0.43199(14) 0.0403(5) Uani 1 1 d . . . . .
H23 H 0.916821 0.628307 0.496478 0.048 Uiso 1 1 calc R . . . .
C20 C 0.61952(12) 0.5437(2) 0.42752(14) 0.0391(5) Uani 1 1 d . . . . .
H20 H 0.654051 0.478449 0.472494 0.047 Uiso 1 1 calc R . . . .
C18 C 0.76553(13) 0.7352(2) 0.30478(14) 0.0430(5) Uani 1 1 d . . . . .
H18 H 0.796246 0.778887 0.278210 0.052 Uiso 1 1 calc R . . . .
C1 C 0.82975(13) 0.7365(2) 0.60008(14) 0.0394(5) Uani 1 1 d . . . . .
H1A H 0.854050 0.778198 0.562856 0.059 Uiso 1 1 calc GR . . . .
H1B H 0.857500 0.764777 0.664059 0.059 Uiso 1 1 calc GR . . . .
H1C H 0.772668 0.759755 0.576470 0.059 Uiso 1 1 calc GR . . . .
C16 C 0.63450(13) 0.6750(2) 0.29928(14) 0.0400(5) Uani 1 1 d . . . . .
H16 H 0.577440 0.677358 0.268785 0.048 Uiso 1 1 calc R . . . .
C17 C 0.68102(14) 0.7381(2) 0.25981(14) 0.0458(5) Uani 1 1 d . . . . .
H17 H 0.655277 0.782375 0.203150 0.055 Uiso 1 1 calc R . . . .
C7 C 0.79998(14) 0.1223(2) 0.65562(16) 0.0464(5) Uani 1 1 d . . . . .
H7A H 0.799199 0.148802 0.714671 0.056 Uiso 1 1 calc R . . . .
H7B H 0.795043 0.027729 0.651264 0.056 Uiso 1 1 calc R . . . .
C6 C 0.88212(14) 0.1633(2) 0.65425(18) 0.0470(5) Uani 1 1 d . . . . .
H6A H 0.926750 0.146375 0.714939 0.056 Uiso 1 1 calc R . . . .
H6B H 0.891873 0.112889 0.607433 0.056 Uiso 1 1 calc R . . . .
C5 C 0.94681(15) 0.3555(3) 0.80141(16) 0.0541(6) Uani 1 1 d . . . . .
H5A H 0.908187 0.320171 0.823277 0.081 Uiso 1 1 calc GR . . . .
H5B H 0.972249 0.432025 0.837263 0.081 Uiso 1 1 calc GR . . . .
H5C H 0.988179 0.291176 0.808728 0.081 Uiso 1 1 calc GR . . . .
C25 C 0.92754(14) 0.5594(3) 0.37925(17) 0.0558(6) Uani 1 1 d . . . . .
H25A H 0.904140 0.475568 0.381369 0.084 Uiso 1 1 calc GR . . . .
H25B H 0.986422 0.553218 0.408118 0.084 Uiso 1 1 calc GR . . . .
H25C H 0.909772 0.586420 0.315128 0.084 Uiso 1 1 calc GR . . . .
C8 C 0.64869(14) 0.2641(3) 0.61665(17) 0.0524(6) Uani 1 1 d . . . . .
H8 H 0.597846 0.298005 0.567298 0.063 Uiso 1 1 calc R . . . .
C24 C 0.94127(16) 0.7908(3) 0.43644(18) 0.0599(7) Uani 1 1 d . . . . .
H24A H 0.932446 0.817524 0.374252 0.090 Uiso 1 1 calc GR . . . .
H24B H 0.999190 0.782322 0.474312 0.090 Uiso 1 1 calc GR . . . .
H24C H 0.918653 0.855320 0.463582 0.090 Uiso 1 1 calc GR . . . .
C9 C 0.69251(16) 0.3793(3) 0.67844(18) 0.0581(6) Uani 1 1 d . . . . .
H9A H 0.738342 0.347996 0.732951 0.087 Uiso 1 1 calc GR . . . .
H9B H 0.655062 0.424989 0.697452 0.087 Uiso 1 1 calc GR . . . .
H9C H 0.711845 0.437605 0.643990 0.087 Uiso 1 1 calc GR . . . .
C22 C 0.54518(16) 0.4727(3) 0.35758(19) 0.0653(7) Uani 1 1 d . . . . .
H22A H 0.517994 0.427205 0.390255 0.098 Uiso 1 1 calc GR . . . .
H22B H 0.562307 0.410961 0.323088 0.098 Uiso 1 1 calc GR . . . .
H22C H 0.508014 0.534826 0.314982 0.098 Uiso 1 1 calc GR . . . .
C11 C 0.65441(18) 0.0541(3) 0.49048(19) 0.0675(8) Uani 1 1 d . . . . .
H11 H 0.650461 -0.011648 0.533968 0.081 Uiso 1 1 calc R . . . .
C21 C 0.59377(19) 0.6429(3) 0.4822(2) 0.0696(8) Uani 1 1 d . . . . .
H21A H 0.641794 0.682962 0.529165 0.104 Uiso 1 1 calc GR . . . .
H21B H 0.563128 0.599717 0.511734 0.104 Uiso 1 1 calc GR . . . .
H21C H 0.560102 0.708962 0.440131 0.104 Uiso 1 1 calc GR . . . .
C10 C 0.6238(2) 0.1624(3) 0.6720(2) 0.0853(11) Uani 1 1 d . . . . .
H10A H 0.593746 0.092871 0.630843 0.128 Uiso 1 1 calc GR . . . .
H10B H 0.589746 0.203261 0.698294 0.128 Uiso 1 1 calc GR . . . .
H10C H 0.672166 0.127490 0.721620 0.128 Uiso 1 1 calc GR . . . .
C13 C 0.7032(3) -0.0033(3) 0.4387(2) 0.0927(11) Uani 1 1 d . . . . .
H13A H 0.702541 0.057327 0.391639 0.139 Uiso 1 1 calc GR . . . .
H13B H 0.678556 -0.084348 0.409541 0.139 Uiso 1 1 calc GR . . . .
H13C H 0.758890 -0.018708 0.482611 0.139 Uiso 1 1 calc GR . . . .
C12 C 0.5680(2) 0.0929(4) 0.4213(2) 0.1012(13) Uani 1 1 d . . . . .
H12A H 0.537360 0.123493 0.455148 0.152 Uiso 1 1 calc GR . . . .
H12B H 0.540771 0.018248 0.384066 0.152 Uiso 1 1 calc GR . . . .
H12C H 0.571407 0.161223 0.381019 0.152 Uiso 1 1 calc GR . . . .
C4 C 0.90205(11) 0.3922(2) 0.69811(14) 0.0370(4) Uani 1 1 d . . . . .
C14 C 0.75797(11) 0.60530(18) 0.42865(12) 0.0290(4) Uani 1 1 d . . . . .
C3 C 0.88546(11) 0.5267(2) 0.67895(13) 0.0345(4) Uani 1 1 d . . . . .
H3 H 0.910358 0.581729 0.730355 0.041 Uiso 1 1 calc R . . . .
C2 C 0.83767(11) 0.59004(19) 0.59516(12) 0.0301(4) Uani 1 1 d . . . . .
C19 C 0.80597(12) 0.66871(19) 0.38856(13) 0.0341(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'
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
P1 Zn1 H 109.5(7) . . ?
N1 Zn1 H 125.7(7) . . ?
N1 Zn1 P1 114.88(4) . . ?
N1 Zn1 N2 95.92(7) . . ?
N2 Zn1 H 123.8(7) . . ?
N2 Zn1 P1 76.92(5) . . ?
C7 P1 Zn1 94.07(7) . . ?
C7 P1 C8 103.04(11) . . ?
C8 P1 Zn1 124.89(8) . . ?
C11 P1 Zn1 120.70(10) . . ?
C11 P1 C7 103.24(12) . . ?
C11 P1 C8 105.73(13) . . ?
C14 N1 Zn1 116.91(11) . . ?
C2 N1 Zn1 122.22(13) . . ?
C2 N1 C14 120.27(16) . . ?
C6 N2 Zn1 111.55(14) . . ?
C4 N2 Zn1 123.61(14) . . ?
C4 N2 C6 121.76(18) . . ?
C16 C15 C20 119.99(17) . . ?
C16 C15 C14 118.77(17) . . ?
C14 C15 C20 121.21(17) . . ?
C25 C23 H23 107.6 . . ?
C24 C23 H23 107.6 . . ?
C24 C23 C25 110.35(19) . . ?
C19 C23 H23 107.6 . . ?
C19 C23 C25 110.22(18) . . ?
C19 C23 C24 113.4(2) . . ?
C15 C20 H20 107.3 . . ?
C22 C20 C15 113.69(17) . . ?
C22 C20 H20 107.3 . . ?
C22 C20 C21 110.4(2) . . ?
C21 C20 C15 110.66(19) . . ?
C21 C20 H20 107.3 . . ?
C17 C18 H18 119.1 . . ?
C17 C18 C19 121.71(18) . . ?
C19 C18 H18 119.1 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 120.94(19) . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 119.75(19) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
P1 C7 H7A 109.3 . . ?
P1 C7 H7B 109.3 . . ?
H7A C7 H7B 108.0 . . ?
C6 C7 P1 111.66(15) . . ?
C6 C7 H7A 109.3 . . ?
C6 C7 H7B 109.3 . . ?
N2 C6 C7 109.20(17) . . ?
N2 C6 H6A 109.8 . . ?
N2 C6 H6B 109.8 . . ?
C7 C6 H6A 109.8 . . ?
C7 C6 H6B 109.8 . . ?
H6A C6 H6B 108.3 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
P1 C8 H8 107.1 . . ?
C9 C8 P1 110.18(15) . . ?
C9 C8 H8 107.1 . . ?
C9 C8 C10 111.0(2) . . ?
C10 C8 P1 114.1(2) . . ?
C10 C8 H8 107.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P1 C11 H11 109.1 . . ?
C13 C11 P1 107.7(2) . . ?
C13 C11 H11 109.1 . . ?
C12 C11 P1 111.0(2) . . ?
C12 C11 H11 109.1 . . ?
C12 C11 C13 110.7(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C4 C5 121.2(2) . . ?
N2 C4 C3 122.92(18) . . ?
C3 C4 C5 115.9(2) . . ?
C15 C14 N1 119.66(15) . . ?
C15 C14 C19 120.69(17) . . ?
C19 C14 N1 119.52(16) . . ?
C4 C3 H3 114.9 . . ?
C2 C3 C4 130.15(19) . . ?
C2 C3 H3 114.9 . . ?
N1 C2 C1 118.80(16) . . ?
N1 C2 C3 124.67(18) . . ?
C3 C2 C1 116.51(17) . . ?
C18 C19 C23 119.80(17) . . ?
C18 C19 C14 118.13(18) . . ?
C14 C19 C23 121.99(17) . . ?
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 H 1.86(2) . ?
Zn1 P1 2.6467(6) . ?
Zn1 N1 1.9845(16) . ?
Zn1 N2 1.9993(17) . ?
P1 C7 1.848(2) . ?
P1 C8 1.858(2) . ?
P1 C11 1.841(3) . ?
N1 C14 1.437(2) . ?
N1 C2 1.334(2) . ?
N2 C6 1.459(3) . ?
N2 C4 1.311(3) . ?
C15 C20 1.521(3) . ?
C15 C16 1.390(3) . ?
C15 C14 1.402(3) . ?
C23 H23 0.9800 . ?
C23 C25 1.529(3) . ?
C23 C24 1.522(3) . ?
C23 C19 1.521(3) . ?
C20 H20 0.9800 . ?
C20 C22 1.511(3) . ?
C20 C21 1.517(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.377(3) . ?
C18 C19 1.385(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 C2 1.508(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.385(3) . ?
C17 H17 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C6 1.536(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 C4 1.525(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C8 H8 0.9800 . ?
C8 C9 1.518(4) . ?
C8 C10 1.534(3) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C11 H11 0.9800 . ?
C11 C13 1.532(5) . ?
C11 C12 1.526(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C4 C3 1.412(3) . ?
C14 C19 1.414(3) . ?
C3 H3 0.9300 . ?
C3 C2 1.393(3) . ?
