#------------------------------------------------------------------------------
#$Date: 2023-01-06 11:26:38 +0200 (Fri, 06 Jan 2023) $
#$Revision: 280158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/77/1567777.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_1567777
loop_
_publ_author_name
'Cao, Furong'
'Wang, Yun'
'Wang, Xing'
'Zhang, Wenjuan'
'Solan, Gregory A.'
'Wang, Rui'
'Ma, Yanping'
'Hao, Xiang'
'Sun, Wen-Hua'
_publ_section_title
;
 Zinc 8-aminotrihydroquinolines appended with pendant
 N-diphenylphosphinoethyl arms as exceptionally active catalysts for the
 ROP of ε-CL
;
_journal_issue                   22
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              6687
_journal_page_last               6703
_journal_paper_doi               10.1039/D2CY00979J
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'C24 H27 Cl2 N2 P Zn'
_chemical_formula_sum            'C24 H27 Cl2 N2 P Zn'
_chemical_formula_weight         510.71
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2021-08-02
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-05-06 deposited with the CCDC.	2022-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                109.146(3)
_cell_angle_beta                 112.870(4)
_cell_angle_gamma                91.797(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6677(4)
_cell_length_b                   11.6496(3)
_cell_length_c                   12.2679(5)
_cell_measurement_reflns_used    7495
_cell_measurement_temperature    169.99(11)
_cell_measurement_theta_max      70.0090
_cell_measurement_theta_min      4.1980
_cell_volume                     1182.45(9)
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_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_environment      N~2~
_diffrn_ambient_temperature      169.99(11)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -124.00 -75.00   0.50    0.05    --  -26.54-125.00 132.00   98
  2  ω   -135.00 -60.00   0.50    0.05    --  -26.54-146.00 -33.00  150
  3  ω     32.00 108.00   0.50    0.05    --   26.54-146.00 -33.00  152
  4  ω   -168.00 -59.00   0.50    0.05    --  -70.34-146.00 -33.00  218
  5  ω   -168.00 -74.00   0.50    0.05    --  -70.34-125.00 132.00  188
  6  ω   -112.00 -13.00   0.50    0.05    --  -70.34 125.00-149.00  198
  7  ω     67.00 152.00   0.50    0.05    --   70.34 146.00  16.00  170
  8  ω     80.00 153.00   0.50    0.05    --   70.34 125.00-149.00  146
  9  ω     19.00 112.00   0.50    0.05    --   70.34-125.00 132.00  186
 10  ω   -168.00 -74.00   0.50    0.05    --  -99.00-125.00 132.00  188
 11  ω   -126.00 -24.00   0.50    0.05    --  -99.00 146.00  16.00  204
 12  ω   -168.00 -59.00   0.50    0.05    --  -99.00-146.00 -33.00  218
 13  ω     31.00 127.00   0.50    0.05    --  114.14-146.00 -33.00  192
 14  ω     19.00 112.00   0.50    0.05    --  114.14-125.00 132.00  186
 15  ω     66.00 169.00   0.50    0.05    --  114.14 146.00  16.00  206
 16  ω    -22.00  54.00   0.50    0.05    --  -26.54  19.00  30.00  152
 17  ω    -19.00   7.00   0.50    0.05    --  -26.54  19.00-180.00   52
 18  ω     -1.00  46.00   0.50    0.05    --  -26.54  19.00 -60.00   94
 19  ω   -131.00 -99.00   0.50    0.05    --  -26.54 -99.00  30.00   64
 20  ω    -10.00  40.00   0.50    0.05    --  -26.54  19.00 -90.00  100
 21  ω     19.00  47.00   0.50    0.05    --  -26.54  19.00-180.00   56
 22  ω    -21.00  12.00   0.50    0.05    --  -70.34  15.00 -30.00   66
 23  ω    -21.00  12.00   0.50    0.05    --  -70.34  15.00  60.00   66
 24  ω    -20.00  12.00   0.50    0.05    --  -70.34  15.00  30.00   64
 25  ω   -163.00 -92.00   0.50    0.05    --  -70.34-111.00 -90.00  142
 26  ω    -31.00  11.00   0.50    0.05    --  -70.34  30.00-180.00   84
 27  ω    -19.00  12.00   0.50    0.05    --  -70.34  15.00   0.00   62
 28  ω    -21.00   5.00   0.50    0.05    --  -70.34  15.00  90.00   52
 29  ω    -43.00 -17.00   0.50    0.05    --  -70.34  45.00-180.00   52
 30  ω    -45.00 -19.00   0.50    0.05    --  -70.34  45.00-150.00   52
 31  ω    -43.00  -6.00   0.50    0.05    --  -70.34  45.00  30.00   74
 32  ω     88.00 153.00   0.50    0.05    --   70.34 111.00  60.00  130
 33  ω    105.00 153.00   0.50    0.05    --   70.34 111.00 -30.00   96
 34  ω    -12.00  28.00   0.50    0.05    --   70.34 -15.00-180.00   80
 35  ω     24.00 103.00   0.50    0.05    --   70.34-111.00 -90.00  158
 36  ω    -33.00   8.00   0.50    0.05    --   70.34 -15.00 150.00   82
 37  ω    -42.00 -17.00   0.50    0.05    --  -99.00  43.00-120.00   50
 38  ω    -43.00 -18.00   0.50    0.05    --  -99.00  43.00 -90.00   50
 39  ω    -45.00 -20.00   0.50    0.05    --  -99.00  43.00-180.00   50
 40  ω   -168.00 -83.00   0.50    0.05    --  -99.00 -89.00  30.00  170
 41  ω    -73.00 -47.00   0.50    0.05    --  -99.00 125.00-149.00   52
 42  ω    -64.00 -30.00   0.50    0.05    --  -99.00  65.00   0.00   68
 43  ω    -44.00 -16.00   0.50    0.05    --  -99.00  43.00 150.00   56
 44  ω     76.00 102.00   0.50    0.05    --  114.14-104.00 -90.00   52
 45  ω     40.00  80.00   0.50    0.05    --  114.14 -65.00-180.00   80
 46  ω     11.00  37.00   0.50    0.05    --  114.14 -65.00-180.00   52
 47  ω     73.00 107.00   0.50    0.05    --  114.14-104.00-180.00   68
 48  ω     15.00  40.00   0.50    0.05    --  114.14 -32.00-150.00   50
 49  ω     93.00 131.00   0.50    0.05    --  114.14 104.00-180.00   76
 50  ω    134.00 162.00   0.50    0.05    --  114.14 104.00 150.00   56
 51  ω     26.00  65.00   0.50    0.05    --  114.14 -54.00  30.00   78
 52  ω     96.00 126.00   0.50    0.05    --  114.14 104.00 150.00   60
 53  ω     82.00 107.00   0.50    0.05    --  114.14-104.00 -30.00   50
 54  ω     12.00  44.00   0.50    0.05    --  114.14-104.00 -30.00   64
 55  ω     15.00 100.00   0.50    0.05    --  114.14 -77.00 120.00  170
 56  ω     16.00  41.00   0.50    0.05    --  114.14 -32.00-180.00   50
 57  ω     73.00 168.00   0.50    0.05    --  114.14 138.00  90.00  190
 58  ω     57.00 109.00   0.50    0.05    --  114.14 -77.00 -30.00  104
 59  ω     14.00  44.00   0.50    0.05    --  114.14 -77.00 -30.00   60
 60  ω     15.00  65.00   0.50    0.05    --  114.14 -54.00-120.00  100
 61  ω     31.00  62.00   0.50    0.05    --  114.14 -65.00 150.00   62
 62  ω     23.00  51.00   0.50    0.05    --  114.14 -43.00 -90.00   56
 63  ω    131.00 156.00   0.50    0.05    --  114.14 138.00  60.00   50
 64  ω     66.00  91.00   0.50    0.05    --  114.14-104.00 150.00   50
 65  ω     13.00  53.00   0.50    0.05    --  114.14-104.00 150.00   80
 66  ω     62.00 100.00   0.50    0.05    --  114.14-104.00  30.00   76
 67  ω     24.00  65.00   0.50    0.05    --  114.14 -54.00-180.00   82
 68  ω    140.00 165.00   0.50    0.05    --  114.14  21.00 150.00   50
 69  ω     20.00  46.00   0.50    0.05    --  114.14-104.00-180.00   52
 70  ω      2.00 135.00   0.50    0.05    --  114.14  21.00 150.00  266
 71  ω     38.00  64.00   0.50    0.05    --  114.14 -54.00   0.00   52
 72  ω     21.00  54.00   0.50    0.05    --  114.14-104.00  30.00   66
 73  ω     13.00  39.00   0.50    0.05    --  114.14-104.00 -90.00   52
 74  ω     15.00  40.00   0.50    0.05    --  114.14 -32.00-120.00   50
 75  ω    129.00 155.00   0.50    0.05    --  114.14 125.00-149.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0577251000
_diffrn_orient_matrix_UB_12      0.1403911000
_diffrn_orient_matrix_UB_13      0.0525874000
_diffrn_orient_matrix_UB_21      0.1011342000
_diffrn_orient_matrix_UB_22      -0.0212030000
_diffrn_orient_matrix_UB_23      -0.0731261000
_diffrn_orient_matrix_UB_31      -0.1318356000
_diffrn_orient_matrix_UB_32      0.0105460000
_diffrn_orient_matrix_UB_33      -0.1157448000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12599
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.025
_diffrn_reflns_theta_min         4.086
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    4.257
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
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    1.434
_exptl_crystal_description       block
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.844
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0352
_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)+(0.0672P)²+0.6132P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4240
_reflns_number_total             4411
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cy00979j2.cif
_cod_data_source_block           Zn2
_cod_depositor_comments
'Adding full bibliography for 1567777--1567778.cif.'
_cod_original_cell_volume        1182.45(8)
_cod_database_code               1567777
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H N Zn P'
_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 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 N2(H2), C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C5(H5A,H5B), C7(H7A,H7B), C6(H6A,H6B)
2.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C17(H17), C3(H3), C14(H14), C2(H2A), C23(H23), C21(H21), C16(H16),
 C15(H15), C20(H20), C22(H22), C19(H19)
2.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.574
_oxdiff_exptl_absorpt_empirical_full_min 0.677
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 0.44233(3) 0.52338(2) 0.26043(2) 0.02275(11) Uani 1 1 d . . . . .
Cl2 Cl 0.51127(6) 0.64274(5) 0.17663(5) 0.03586(15) Uani 1 1 d . . . . .
Cl1 Cl 0.60702(6) 0.41487(6) 0.34720(5) 0.03792(15) Uani 1 1 d . . . . .
P1 P 0.69834(6) 0.92179(5) 0.59428(5) 0.02755(14) Uani 1 1 d . . . . .
N1 N 0.22143(18) 0.43275(15) 0.14775(15) 0.0232(3) Uani 1 1 d . . . . .
N2 N 0.34684(18) 0.62144(16) 0.38000(15) 0.0244(3) Uani 1 1 d . . . . .
H2 H 0.354100 0.581036 0.440141 0.029 Uiso 1 1 calc R . . . .
C9 C 0.1208(2) 0.48664(19) 0.18803(18) 0.0231(4) Uani 1 1 d . . . . .
C18 C 0.8968(2) 0.8991(2) 0.63587(19) 0.0283(4) Uani 1 1 d . . . . .
C12 C 0.6904(2) 0.97653(19) 0.74964(19) 0.0264(4) Uani 1 1 d . . . . .
C8 C 0.1825(2) 0.6107(2) 0.29835(18) 0.0260(4) Uani 1 1 d . . . . .
H8 H 0.176795 0.673646 0.260626 0.031 Uiso 1 1 calc R . . . .
C1 C 0.1765(2) 0.32797(19) 0.0445(2) 0.0280(4) Uani 1 1 d . . . . .
C4 C -0.0350(2) 0.4366(2) 0.12737(19) 0.0270(4) Uani 1 1 d . . . . .
C13 C 0.5755(2) 1.0420(2) 0.7597(2) 0.0300(4) Uani 1 1 d . . . . .
H13 H 0.508488 1.056911 0.689434 0.036 Uiso 1 1 calc R . . . .
C10 C 0.4248(2) 0.7523(2) 0.4541(2) 0.0291(4) Uani 1 1 d . . . . .
H10A H 0.383365 0.790619 0.514960 0.035 Uiso 1 1 calc R . . . .
H10B H 0.406395 0.797047 0.397083 0.035 Uiso 1 1 calc R . . . .
C11 C 0.5958(2) 0.7600(2) 0.5244(2) 0.0300(4) Uani 1 1 d . . . . .
H11A H 0.633943 0.709555 0.465761 0.036 Uiso 1 1 calc R . . . .
H11B H 0.615019 0.727826 0.591508 0.036 Uiso 1 1 calc R . . . .
C17 C 0.7919(3) 0.9578(2) 0.8582(2) 0.0353(5) Uani 1 1 d . . . . .
H17 H 0.870114 0.914579 0.854109 0.042 Uiso 1 1 calc R . . . .
C3 C -0.0818(2) 0.3281(2) 0.0205(2) 0.0343(5) Uani 1 1 d . . . . .
H3 H -0.184503 0.291487 -0.023236 0.041 Uiso 1 1 calc R . . . .
C14 C 0.5589(3) 1.0853(2) 0.8725(2) 0.0335(5) Uani 1 1 d . . . . .
H14 H 0.479895 1.127362 0.876871 0.040 Uiso 1 1 calc R . . . .
C2 C 0.0223(3) 0.2745(2) -0.0213(2) 0.0349(5) Uani 1 1 d . . . . .
H2A H -0.010310 0.202525 -0.093438 0.042 Uiso 1 1 calc R . . . .
C24 C 0.2973(3) 0.2771(2) 0.0060(2) 0.0366(5) Uani 1 1 d . . . . .
H24A H 0.350132 0.338882 -0.007163 0.055 Uiso 1 1 calc GR . . . .
H24B H 0.251085 0.205889 -0.071505 0.055 Uiso 1 1 calc GR . . . .
H24C H 0.368384 0.253963 0.071891 0.055 Uiso 1 1 calc GR . . . .
C23 C 0.9983(3) 0.9941(2) 0.6462(2) 0.0349(5) Uani 1 1 d . . . . .
H23 H 0.964017 1.064787 0.634723 0.042 Uiso 1 1 calc R . . . .
C21 C 1.2010(3) 0.8792(3) 0.6891(2) 0.0387(5) Uani 1 1 d . . . . .
H21 H 1.302376 0.872328 0.707122 0.046 Uiso 1 1 calc R . . . .
C16 C 0.7762(3) 1.0033(2) 0.9711(2) 0.0380(5) Uani 1 1 d . . . . .
H16 H 0.844789 0.991580 1.042829 0.046 Uiso 1 1 calc R . . . .
C15 C 0.6589(3) 1.0664(2) 0.9781(2) 0.0356(5) Uani 1 1 d . . . . .
H15 H 0.647931 1.095755 1.053922 0.043 Uiso 1 1 calc R . . . .
C20 C 1.1018(3) 0.7845(2) 0.6784(2) 0.0403(5) Uani 1 1 d . . . . .
H20 H 1.136514 0.713610 0.688952 0.048 Uiso 1 1 calc R . . . .
C22 C 1.1500(3) 0.9842(3) 0.6733(2) 0.0407(6) Uani 1 1 d . . . . .
H22 H 1.216982 1.048344 0.680720 0.049 Uiso 1 1 calc R . . . .
C5 C -0.1476(2) 0.4950(2) 0.1759(2) 0.0352(5) Uani 1 1 d . . . . .
H5A H -0.180912 0.443198 0.212161 0.042 Uiso 1 1 calc R . . . .
H5B H -0.236544 0.497544 0.104489 0.042 Uiso 1 1 calc R . . . .
C19 C 0.9510(3) 0.7939(2) 0.6519(2) 0.0371(5) Uani 1 1 d . . . . .
H19 H 0.885060 0.729206 0.644758 0.044 Uiso 1 1 calc R . . . .
C7 C 0.0809(2) 0.6366(3) 0.3685(2) 0.0407(6) Uani 1 1 d . . . . .
H7A H 0.116692 0.719390 0.432912 0.049 Uiso 1 1 calc R . . . .
H7B H 0.085900 0.578563 0.410702 0.049 Uiso 1 1 calc R . . . .
C6 C -0.0839(3) 0.6248(3) 0.2754(2) 0.0441(6) Uani 1 1 d . . . . .
H6A H -0.146472 0.645676 0.322150 0.053 Uiso 1 1 calc R . . . .
H6B H -0.088290 0.683035 0.233424 0.053 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 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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
Cl2 Zn1 Cl1 119.12(2) . . ?
N1 Zn1 Cl2 110.46(5) . . ?
N1 Zn1 Cl1 116.51(5) . . ?
N1 Zn1 N2 82.84(7) . . ?
N2 Zn1 Cl2 109.79(5) . . ?
N2 Zn1 Cl1 112.36(5) . . ?
C18 P1 C11 101.15(10) . . ?
C12 P1 C18 102.51(9) . . ?
C12 P1 C11 101.53(10) . . ?
C9 N1 Zn1 113.31(13) . . ?
C9 N1 C1 121.28(17) . . ?
C1 N1 Zn1 125.39(14) . . ?
C8 N2 Zn1 106.71(12) . . ?
C10 N2 Zn1 113.26(12) . . ?
C10 N2 C8 111.98(16) . . ?
N1 C9 C8 116.62(16) . . ?
N1 C9 C4 122.28(19) . . ?
C4 C9 C8 120.97(18) . . ?
C23 C18 P1 116.22(17) . . ?
C19 C18 P1 125.42(17) . . ?
C19 C18 C23 118.3(2) . . ?
C13 C12 P1 116.97(16) . . ?
C13 C12 C17 118.1(2) . . ?
C17 C12 P1 124.94(17) . . ?
N2 C8 C9 111.05(16) . . ?
N2 C8 C7 115.07(16) . . ?
C7 C8 C9 111.07(18) . . ?
N1 C1 C2 119.2(2) . . ?
N1 C1 C24 116.99(18) . . ?
C2 C1 C24 123.8(2) . . ?
C9 C4 C5 122.18(19) . . ?
C3 C4 C9 116.5(2) . . ?
C3 C4 C5 121.28(19) . . ?
C14 C13 C12 121.2(2) . . ?
N2 C10 C11 110.45(17) . . ?
C10 C11 P1 110.87(15) . . ?
C16 C17 C12 120.4(2) . . ?
C2 C3 C4 120.72(19) . . ?
C15 C14 C13 120.2(2) . . ?
C3 C2 C1 120.0(2) . . ?
C22 C23 C18 120.7(2) . . ?
C22 C21 C20 120.0(2) . . ?
C17 C16 C15 120.5(2) . . ?
C14 C15 C16 119.7(2) . . ?
C21 C20 C19 120.5(2) . . ?
C21 C22 C23 119.8(2) . . ?
C4 C5 C6 113.92(18) . . ?
C20 C19 C18 120.7(2) . . ?
C8 C7 C6 110.25(18) . . ?
C5 C6 C7 111.6(2) . . ?
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 Cl2 2.2015(6) . ?
Zn1 Cl1 2.2265(6) . ?
Zn1 N1 2.0477(16) . ?
Zn1 N2 2.0806(17) . ?
P1 C18 1.836(2) . ?
P1 C12 1.834(2) . ?
P1 C11 1.852(2) . ?
N1 C9 1.339(3) . ?
N1 C1 1.344(3) . ?
N2 C8 1.487(2) . ?
N2 C10 1.485(3) . ?
C9 C8 1.520(3) . ?
C9 C4 1.397(3) . ?
C18 C23 1.396(3) . ?
C18 C19 1.390(3) . ?
C12 C13 1.389(3) . ?
C12 C17 1.404(3) . ?
C8 C7 1.517(3) . ?
C1 C2 1.392(3) . ?
C1 C24 1.492(3) . ?
C4 C3 1.392(3) . ?
C4 C5 1.512(3) . ?
C13 C14 1.383(3) . ?
C10 C11 1.523(3) . ?
C17 C16 1.381(3) . ?
C3 C2 1.378(3) . ?
C14 C15 1.374(3) . ?
C23 C22 1.390(3) . ?
C21 C20 1.377(4) . ?
C21 C22 1.376(4) . ?
C16 C15 1.385(4) . ?
C20 C19 1.381(3) . ?
C5 C6 1.518(4) . ?
C7 C6 1.526(3) . ?
