#------------------------------------------------------------------------------
#$Date: 2021-09-14 02:03:28 +0300 (Tue, 14 Sep 2021) $
#$Revision: 269122 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/82/7708286.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_7708286
loop_
_publ_author_name
'Nakaya, Kazuki'
'Takahashi, Shintaro'
'Ishii, Akihiko'
'Boonpalit, Kajjana'
'Surawatanawong, Panida'
'Nakata, Norio'
_publ_section_title
;
 Hydroboration of Carbonyls and Imines by an Iminophosphonamido Tin(II)
 Precatalyst
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT01856F
_journal_year                    2021
_chemical_formula_moiety         'C20 H28 Cl N2 P Sn'
_chemical_formula_sum            'C20 H28 Cl N2 P Sn'
_chemical_formula_weight         481.55
_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_method           SHELXL-2018/1
_audit_update_record
;
2020-08-04 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                117.4000(10)
_cell_angle_beta                 99.5250(10)
_cell_angle_gamma                90.4380(10)
_cell_formula_units_Z            4
_cell_length_a                   10.4791(9)
_cell_length_b                   15.2552(13)
_cell_length_c                   15.7058(13)
_cell_measurement_reflns_used    8475
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.31
_cell_volume                     2188.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11374
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.488
_diffrn_source                   'Bruker TXS fine-focus rotating anode'
_exptl_absorpt_coefficient_mu    1.368
_exptl_absorpt_correction_T_max  0.9103
_exptl_absorpt_correction_T_min  0.8753
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.488
_refine_diff_density_min         -0.911
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         8379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0302
_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)+(0.0381P)²+0.0014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0751
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7247
_reflns_number_total             8379
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01856f2.cif
_cod_data_source_block           naka250
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7708286
_shelx_shelxl_version_number     2018/1
_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_min   0.875
_shelx_estimated_absorpt_t_max   0.910
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
Sn1 Sn 0.31583(2) 0.36828(2) 0.13343(2) 0.01705(6) Uani 1 1 d . . . . .
Sn2 Sn -0.10737(2) 0.09170(2) 0.38760(2) 0.01673(6) Uani 1 1 d . . . . .
P2 P -0.26564(7) -0.02297(5) 0.19744(5) 0.01329(14) Uani 1 1 d . . . . .
P1 P 0.25608(6) 0.55422(5) 0.28075(5) 0.01368(14) Uani 1 1 d . . . . .
Cl2 Cl 0.10182(7) 0.11268(6) 0.33872(6) 0.02726(17) Uani 1 1 d . . . . .
Cl1 Cl 0.55699(7) 0.40059(5) 0.16540(6) 0.02972(18) Uani 1 1 d . . . . .
N3 N -0.2389(2) 0.09582(16) 0.26745(16) 0.0151(5) Uani 1 1 d . . . . .
N4 N -0.1733(2) -0.05616(16) 0.26831(17) 0.0163(5) Uani 1 1 d . . . . .
C11 C 0.3590(3) 0.66509(19) 0.3707(2) 0.0171(6) Uani 1 1 d . . . . .
N2 N 0.2755(2) 0.52040(16) 0.17054(17) 0.0168(5) Uani 1 1 d . . . . .
C31 C -0.2169(3) -0.06480(18) 0.0803(2) 0.0148(5) Uani 1 1 d . . . . .
N1 N 0.2952(2) 0.45424(16) 0.28587(16) 0.0152(5) Uani 1 1 d . . . . .
C36 C -0.2946(3) -0.06043(19) 0.0013(2) 0.0171(6) Uani 1 1 d . . . . .
H47 H -0.380425 -0.041485 0.005585 0.020 Uiso 1 1 calc R U . . .
C25 C -0.4369(2) -0.06573(19) 0.1715(2) 0.0147(5) Uani 1 1 d . . . . .
C10 C 0.0600(3) 0.6356(2) 0.3905(2) 0.0184(6) Uani 1 1 d . . . . .
H14 H 0.127417 0.673351 0.444967 0.022 Uiso 1 1 calc R U . . .
C5 C 0.0907(3) 0.57787(19) 0.2984(2) 0.0158(6) Uani 1 1 d . . . . .
C34 C -0.1231(3) -0.1122(2) -0.0904(2) 0.0218(6) Uani 1 1 d . . . . .
H45 H -0.091058 -0.128118 -0.148520 0.026 Uiso 1 1 calc R U . . .
C12 C 0.4872(3) 0.6548(2) 0.4025(2) 0.0194(6) Uani 1 1 d . . . . .
H15 H 0.515632 0.590543 0.383032 0.023 Uiso 1 1 calc R U . . .
C6 C -0.0091(3) 0.5239(2) 0.2192(2) 0.0217(6) Uani 1 1 d . . . . .
H10 H 0.010496 0.485651 0.156092 0.026 Uiso 1 1 calc R U . . .
C21 C -0.2719(3) 0.17971(19) 0.2480(2) 0.0165(6) Uani 1 1 d . . . . .
C35 C -0.2475(3) -0.08358(19) -0.0835(2) 0.0194(6) Uani 1 1 d . . . . .
H46 H -0.300611 -0.079766 -0.136659 0.023 Uiso 1 1 calc R U . . .
C32 C -0.0909(3) -0.0932(2) 0.0726(2) 0.0183(6) Uani 1 1 d . . . . .
H43 H -0.036622 -0.095811 0.126069 0.022 Uiso 1 1 calc R U . . .
C17 C 0.2953(3) 0.5775(2) 0.1181(2) 0.0211(6) Uani 1 1 d . . . . .
C37 C -0.1684(3) -0.1507(2) 0.2731(2) 0.0198(6) Uani 1 1 d . . . . .
C13 C 0.5743(3) 0.7387(2) 0.4630(2) 0.0241(7) Uani 1 1 d . . . . .
H16 H 0.661907 0.731486 0.484491 0.029 Uiso 1 1 calc R U . . .
C30 C -0.5007(3) -0.1428(2) 0.0826(2) 0.0186(6) Uani 1 1 d . . . . .
H42 H -0.454139 -0.176754 0.031453 0.022 Uiso 1 1 calc R U . . .
C24 C -0.4130(3) 0.1654(2) 0.1956(2) 0.0218(6) Uani 1 1 d . . . . .
H35 H -0.425436 0.106225 0.131657 0.033 Uiso 1 1 calc R U . . .
H36 H -0.433039 0.223620 0.186749 0.033 Uiso 1 1 calc R U . . .
H37 H -0.471071 0.157011 0.234824 0.033 Uiso 1 1 calc R U . . .
C1 C 0.2671(3) 0.41281(19) 0.3503(2) 0.0172(6) Uani 1 1 d . . . . .
C28 C -0.7007(3) -0.1210(2) 0.1435(2) 0.0244(7) Uani 1 1 d . . . . .
H40 H -0.791125 -0.138620 0.133275 0.029 Uiso 1 1 calc R U . . .
C14 C 0.5326(3) 0.8323(2) 0.4915(2) 0.0273(7) Uani 1 1 d . . . . .
H17 H 0.591922 0.889315 0.532694 0.033 Uiso 1 1 calc R U . . .
C3 C 0.3562(3) 0.3294(2) 0.3335(2) 0.0240(6) Uani 1 1 d . . . . .
H4 H 0.336542 0.279285 0.264651 0.036 Uiso 1 1 calc R U . . .
H5 H 0.341996 0.298849 0.374480 0.036 Uiso 1 1 calc R U . . .
H6 H 0.447134 0.356909 0.350783 0.036 Uiso 1 1 calc R U . . .
C4 C 0.2984(3) 0.4912(2) 0.4576(2) 0.0222(6) Uani 1 1 d . . . . .
H7 H 0.390091 0.517073 0.474953 0.033 Uiso 1 1 calc R U . . .
H8 H 0.281924 0.461384 0.498654 0.033 Uiso 1 1 calc R U . . .
H9 H 0.243459 0.545605 0.467904 0.033 Uiso 1 1 calc R U . . .
C16 C 0.3181(3) 0.7604(2) 0.3999(2) 0.0214(6) Uani 1 1 d . . . . .
H19 H 0.230752 0.768143 0.378235 0.026 Uiso 1 1 calc R U . . .
C23 C -0.2540(3) 0.2731(2) 0.3469(2) 0.0229(6) Uani 1 1 d . . . . .
H32 H -0.310158 0.264356 0.387093 0.034 Uiso 1 1 calc R U . . .
H33 H -0.277371 0.330195 0.336908 0.034 Uiso 1 1 calc R U . . .
H34 H -0.163068 0.284541 0.380196 0.034 Uiso 1 1 calc R U . . .
C9 C -0.0681(3) 0.6379(2) 0.4028(2) 0.0247(7) Uani 1 1 d . . . . .
H13 H -0.088409 0.677513 0.465453 0.030 Uiso 1 1 calc R U . . .
C27 C -0.6374(3) -0.0466(2) 0.2331(2) 0.0239(7) Uani 1 1 d . . . . .
H39 H -0.683743 -0.014619 0.284806 0.029 Uiso 1 1 calc R U . . .
C7 C -0.1367(3) 0.5255(2) 0.2319(2) 0.0273(7) Uani 1 1 d . . . . .
H11 H -0.204367 0.487691 0.177671 0.033 Uiso 1 1 calc R U . . .
C2 C 0.1250(3) 0.3690(2) 0.3231(2) 0.0231(6) Uani 1 1 d . . . . .
H1 H 0.067803 0.422702 0.338946 0.035 Uiso 1 1 calc R U . . .
H2 H 0.112924 0.333407 0.359994 0.035 Uiso 1 1 calc R U . . .
H3 H 0.103471 0.323042 0.252954 0.035 Uiso 1 1 calc R U . . .
C22 C -0.1804(3) 0.1942(2) 0.1872(2) 0.0224(6) Uani 1 1 d . . . . .
H29 H -0.089977 0.201916 0.220143 0.034 Uiso 1 1 calc R U . . .
H30 H -0.199335 0.253714 0.180291 0.034 Uiso 1 1 calc R U . . .
H31 H -0.193809 0.136241 0.122334 0.034 Uiso 1 1 calc R U . . .
C29 C -0.6329(3) -0.1699(2) 0.0689(2) 0.0227(6) Uani 1 1 d . . . . .
H41 H -0.676477 -0.222042 0.008208 0.027 Uiso 1 1 calc R U . . .
C40 C -0.2130(3) -0.2408(2) 0.1728(2) 0.0301(7) Uani 1 1 d . . . . .
H54 H -0.304466 -0.238484 0.148205 0.045 Uiso 1 1 calc R U . . .
H55 H -0.203039 -0.301675 0.178726 0.045 Uiso 1 1 calc R U . . .
H56 H -0.159910 -0.239820 0.127341 0.045 Uiso 1 1 calc R U . . .
C18 C 0.4251(3) 0.6426(2) 0.1617(2) 0.0261(7) Uani 1 1 d . . . . .
H20 H 0.422280 0.695180 0.227503 0.039 Uiso 1 1 calc R U . . .
H21 H 0.440297 0.672473 0.120276 0.039 Uiso 1 1 calc R U . . .
H22 H 0.495698 0.601901 0.165027 0.039 Uiso 1 1 calc R U . . .
C26 C -0.5062(3) -0.0188(2) 0.2470(2) 0.0199(6) Uani 1 1 d . . . . .
H38 H -0.462995 0.032549 0.308401 0.024 Uiso 1 1 calc R U . . .
C33 C -0.0449(3) -0.1178(2) -0.0131(2) 0.0227(6) Uani 1 1 d . . . . .
H44 H 0.039995 -0.138298 -0.018537 0.027 Uiso 1 1 calc R U . . .
C39 C -0.0269(3) -0.1572(2) 0.3115(2) 0.0300(7) Uani 1 1 d . . . . .
H51 H 0.027400 -0.156960 0.266463 0.045 Uiso 1 1 calc R U . . .
H52 H -0.019872 -0.218704 0.316692 0.045 Uiso 1 1 calc R U . . .
H53 H 0.002603 -0.100233 0.376090 0.045 Uiso 1 1 calc R U . . .
C20 C 0.1823(3) 0.6408(2) 0.1192(3) 0.0316(8) Uani 1 1 d . . . . .
H26 H 0.100007 0.598317 0.092386 0.047 Uiso 1 1 calc R U . . .
H27 H 0.192444 0.673508 0.079339 0.047 Uiso 1 1 calc R U . . .
H28 H 0.181999 0.691088 0.186470 0.047 Uiso 1 1 calc R U . . .
C15 C 0.4053(3) 0.8432(2) 0.4603(2) 0.0283(7) Uani 1 1 d . . . . .
H18 H 0.377381 0.907668 0.480454 0.034 Uiso 1 1 calc R U . . .
C8 C -0.1661(3) 0.5825(2) 0.3239(2) 0.0279(7) Uani 1 1 d . . . . .
H12 H -0.253782 0.583414 0.332452 0.033 Uiso 1 1 calc R U . . .
C19 C 0.2973(4) 0.5015(2) 0.0125(2) 0.0348(8) Uani 1 1 d . . . . .
H23 H 0.365761 0.457811 0.011574 0.052 Uiso 1 1 calc R U . . .
H24 H 0.314551 0.536094 -0.024314 0.052 Uiso 1 1 calc R U . . .
H25 H 0.212954 0.461911 -0.017314 0.052 Uiso 1 1 calc R U . . .
C38 C -0.2544(4) -0.1515(3) 0.3429(3) 0.0361(8) Uani 1 1 d . . . . .
H48 H -0.225632 -0.094432 0.407586 0.054 Uiso 1 1 calc R U . . .
H49 H -0.247434 -0.212922 0.348126 0.054 Uiso 1 1 calc R U . . .
H50 H -0.344995 -0.147533 0.317707 0.054 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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
N2 Sn1 N1 67.60(8) . . ?
N2 Sn1 Cl1 95.84(6) . . ?
N1 Sn1 Cl1 95.82(6) . . ?
N2 Sn1 P1 33.81(6) . . ?
N1 Sn1 P1 33.94(6) . . ?
Cl1 Sn1 P1 99.41(2) . . ?
N3 Sn2 N4 67.94(8) . . ?
N3 Sn2 Cl2 97.83(6) . . ?
N4 Sn2 Cl2 97.25(6) . . ?
N3 Sn2 P2 34.07(6) . . ?
N4 Sn2 P2 33.87(6) . . ?
Cl2 Sn2 P2 99.41(2) . . ?
N4 P2 N3 97.35(12) . . ?
N4 P2 C31 112.62(12) . . ?
N3 P2 C31 113.91(12) . . ?
N4 P2 C25 114.76(12) . . ?
N3 P2 C25 111.75(12) . . ?
C31 P2 C25 106.55(12) . . ?
N4 P2 Sn2 48.74(8) . . ?
N3 P2 Sn2 48.62(8) . . ?
C31 P2 Sn2 127.27(9) . . ?
C25 P2 Sn2 126.17(9) . . ?
N2 P1 N1 97.64(11) . . ?
N2 P1 C5 113.76(13) . . ?
N1 P1 C5 111.50(12) . . ?
N2 P1 C11 113.22(12) . . ?
N1 P1 C11 114.14(13) . . ?
C5 P1 C11 106.66(13) . . ?
N2 P1 Sn1 48.82(8) . . ?
N1 P1 Sn1 49.08(8) . . ?
C5 P1 Sn1 121.68(9) . . ?
C11 P1 Sn1 131.66(9) . . ?
C21 N3 P2 131.05(19) . . ?
C21 N3 Sn2 130.66(17) . . ?
P2 N3 Sn2 97.31(10) . . ?
C37 N4 P2 132.39(19) . . ?
C37 N4 Sn2 126.84(18) . . ?
P2 N4 Sn2 97.40(10) . . ?
C12 C11 C16 119.4(3) . . ?
C12 C11 P1 118.0(2) . . ?
C16 C11 P1 122.1(2) . . ?
C17 N2 P1 132.18(18) . . ?
C17 N2 Sn1 128.71(17) . . ?
P1 N2 Sn1 97.37(11) . . ?
C36 C31 C32 119.0(3) . . ?
C36 C31 P2 122.7(2) . . ?
C32 C31 P2 117.9(2) . . ?
C1 N1 P1 131.69(18) . . ?
C1 N1 Sn1 125.86(16) . . ?
P1 N1 Sn1 96.99(11) . . ?
C35 C36 C31 120.5(3) . . ?
C30 C25 C26 119.1(2) . . ?
C30 C25 P2 124.0(2) . . ?
C26 C25 P2 116.9(2) . . ?
C9 C10 C5 120.4(3) . . ?
C6 C5 C10 119.1(2) . . ?
C6 C5 P1 117.5(2) . . ?
C10 C5 P1 122.6(2) . . ?
C35 C34 C33 120.3(3) . . ?
C11 C12 C13 120.2(3) . . ?
C7 C6 C5 120.4(3) . . ?
N3 C21 C24 111.5(2) . . ?
N3 C21 C23 107.2(2) . . ?
C24 C21 C23 108.7(2) . . ?
N3 C21 C22 111.2(2) . . ?
C24 C21 C22 109.6(2) . . ?
C23 C21 C22 108.5(2) . . ?
C34 C35 C36 120.0(3) . . ?
C33 C32 C31 120.2(3) . . ?
N2 C17 C19 106.6(2) . . ?
N2 C17 C20 110.2(2) . . ?
C19 C17 C20 109.0(3) . . ?
N2 C17 C18 111.7(2) . . ?
C19 C17 C18 108.7(2) . . ?
C20 C17 C18 110.5(2) . . ?
N4 C37 C39 107.0(2) . . ?
N4 C37 C40 112.3(2) . . ?
C39 C37 C40 108.7(2) . . ?
N4 C37 C38 109.9(2) . . ?
C39 C37 C38 109.9(3) . . ?
C40 C37 C38 109.0(3) . . ?
C14 C13 C12 119.8(3) . . ?
C25 C30 C29 120.0(3) . . ?
N1 C1 C4 111.1(2) . . ?
N1 C1 C3 105.6(2) . . ?
C4 C1 C3 109.4(2) . . ?
N1 C1 C2 111.5(2) . . ?
C4 C1 C2 110.0(2) . . ?
C3 C1 C2 109.1(2) . . ?
C29 C28 C27 120.4(3) . . ?
C15 C14 C13 120.3(3) . . ?
C15 C16 C11 119.9(3) . . ?
C8 C9 C10 119.9(3) . . ?
C28 C27 C26 119.8(3) . . ?
C6 C7 C8 120.1(3) . . ?
C28 C29 C30 120.1(3) . . ?
C27 C26 C25 120.6(3) . . ?
C34 C33 C32 120.0(3) . . ?
C14 C15 C16 120.3(3) . . ?
C9 C8 C7 120.2(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
Sn1 N2 2.181(2) . ?
Sn1 N1 2.187(2) . ?
Sn1 Cl1 2.4929(8) . ?
Sn1 P1 2.8735(7) . ?
Sn2 N3 2.171(2) . ?
Sn2 N4 2.176(2) . ?
Sn2 Cl2 2.5038(7) . ?
Sn2 P2 2.8702(7) . ?
P2 N4 1.613(2) . ?
P2 N3 1.621(2) . ?
P2 C31 1.814(3) . ?
P2 C25 1.818(3) . ?
P1 N2 1.612(2) . ?
P1 N1 1.616(2) . ?
P1 C5 1.813(3) . ?
P1 C11 1.813(3) . ?
N3 C21 1.477(3) . ?
N4 C37 1.479(3) . ?
C11 C12 1.390(4) . ?
C11 C16 1.403(4) . ?
N2 C17 1.481(3) . ?
C31 C36 1.396(4) . ?
C31 C32 1.400(4) . ?
N1 C1 1.481(3) . ?
C36 C35 1.389(4) . ?
C25 C30 1.394(4) . ?
C25 C26 1.400(4) . ?
C10 C9 1.386(4) . ?
C10 C5 1.399(4) . ?
C5 C6 1.390(4) . ?
C34 C35 1.383(4) . ?
C34 C33 1.386(4) . ?
C12 C13 1.395(4) . ?
C6 C7 1.383(4) . ?
C21 C24 1.529(4) . ?
C21 C23 1.530(4) . ?
C21 C22 1.542(4) . ?
C32 C33 1.392(4) . ?
C17 C19 1.528(4) . ?
C17 C20 1.532(4) . ?
C17 C18 1.534(4) . ?
C37 C39 1.528(4) . ?
C37 C40 1.530(4) . ?
C37 C38 1.534(4) . ?
C13 C14 1.384(4) . ?
C30 C29 1.396(4) . ?
C1 C4 1.528(4) . ?
C1 C3 1.533(4) . ?
C1 C2 1.536(4) . ?
C28 C29 1.383(4) . ?
C28 C27 1.385(4) . ?
C14 C15 1.382(4) . ?
C16 C15 1.387(4) . ?
C9 C8 1.381(5) . ?
C27 C26 1.387(4) . ?
C7 C8 1.391(4) . ?
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
N4 P2 N3 C21 168.7(2) . . . . ?
C31 P2 N3 C21 49.9(3) . . . . ?
C25 P2 N3 C21 -70.9(3) . . . . ?
Sn2 P2 N3 C21 169.4(3) . . . . ?
N4 P2 N3 Sn2 -0.71(11) . . . . ?
C31 P2 N3 Sn2 -119.49(12) . . . . ?
C25 P2 N3 Sn2 119.69(11) . . . . ?
N3 P2 N4 C37 160.3(2) . . . . ?
C31 P2 N4 C37 -79.9(3) . . . . ?
C25 P2 N4 C37 42.2(3) . . . . ?
Sn2 P2 N4 C37 159.6(3) . . . . ?
N3 P2 N4 Sn2 0.71(11) . . . . ?
C31 P2 N4 Sn2 120.48(11) . . . . ?
C25 P2 N4 Sn2 -117.38(11) . . . . ?
N2 P1 C11 C12 -81.4(2) . . . . ?
N1 P1 C11 C12 29.1(3) . . . . ?
C5 P1 C11 C12 152.7(2) . . . . ?
Sn1 P1 C11 C12 -26.7(3) . . . . ?
N2 P1 C11 C16 91.0(3) . . . . ?
N1 P1 C11 C16 -158.4(2) . . . . ?
C5 P1 C11 C16 -34.8(3) . . . . ?
Sn1 P1 C11 C16 145.76(19) . . . . ?
N1 P1 N2 C17 -160.1(2) . . . . ?
C5 P1 N2 C17 82.4(3) . . . . ?
C11 P1 N2 C17 -39.6(3) . . . . ?
Sn1 P1 N2 C17 -165.5(3) . . . . ?
N1 P1 N2 Sn1 5.43(12) . . . . ?
C5 P1 N2 Sn1 -112.16(12) . . . . ?
C11 P1 N2 Sn1 125.86(12) . . . . ?
N4 P2 C31 C36 168.3(2) . . . . ?
N3 P2 C31 C36 -82.0(2) . . . . ?
C25 P2 C31 C36 41.7(3) . . . . ?
Sn2 P2 C31 C36 -137.16(19) . . . . ?
N4 P2 C31 C32 -18.1(2) . . . . ?
N3 P2 C31 C32 91.5(2) . . . . ?
C25 P2 C31 C32 -144.8(2) . . . . ?
Sn2 P2 C31 C32 36.4(2) . . . . ?
N2 P1 N1 C1 -159.5(2) . . . . ?
C5 P1 N1 C1 -40.2(3) . . . . ?
C11 P1 N1 C1 80.8(3) . . . . ?
Sn1 P1 N1 C1 -154.1(3) . . . . ?
N2 P1 N1 Sn1 -5.40(12) . . . . ?
C5 P1 N1 Sn1 113.92(12) . . . . ?
C11 P1 N1 Sn1 -125.14(11) . . . . ?
C32 C31 C36 C35 -0.3(4) . . . . ?
P2 C31 C36 C35 173.2(2) . . . . ?
N4 P2 C25 C30 -105.4(2) . . . . ?
N3 P2 C25 C30 145.0(2) . . . . ?
C31 P2 C25 C30 20.0(3) . . . . ?
Sn2 P2 C25 C30 -161.15(19) . . . . ?
N4 P2 C25 C26 73.2(2) . . . . ?
N3 P2 C25 C26 -36.4(2) . . . . ?
C31 P2 C25 C26 -161.4(2) . . . . ?
Sn2 P2 C25 C26 17.4(3) . . . . ?
C9 C10 C5 C6 0.7(4) . . . . ?
C9 C10 C5 P1 -169.0(2) . . . . ?
N2 P1 C5 C6 30.3(3) . . . . ?
N1 P1 C5 C6 -79.0(2) . . . . ?
C11 P1 C5 C6 155.8(2) . . . . ?
Sn1 P1 C5 C6 -24.7(3) . . . . ?
N2 P1 C5 C10 -159.8(2) . . . . ?
N1 P1 C5 C10 90.9(2) . . . . ?
C11 P1 C5 C10 -34.3(3) . . . . ?
Sn1 P1 C5 C10 145.18(19) . . . . ?
C16 C11 C12 C13 0.0(4) . . . . ?
P1 C11 C12 C13 172.7(2) . . . . ?
C10 C5 C6 C7 -1.4(4) . . . . ?
P1 C5 C6 C7 168.8(2) . . . . ?
P2 N3 C21 C24 46.9(3) . . . . ?
Sn2 N3 C21 C24 -147.04(19) . . . . ?
P2 N3 C21 C23 165.8(2) . . . . ?
Sn2 N3 C21 C23 -28.2(3) . . . . ?
P2 N3 C21 C22 -75.8(3) . . . . ?
Sn2 N3 C21 C22 90.3(3) . . . . ?
C33 C34 C35 C36 -0.1(4) . . . . ?
C31 C36 C35 C34 0.7(4) . . . . ?
C36 C31 C32 C33 -0.7(4) . . . . ?
P2 C31 C32 C33 -174.5(2) . . . . ?
P1 N2 C17 C19 -176.0(2) . . . . ?
Sn1 N2 C17 C19 22.6(3) . . . . ?
P1 N2 C17 C20 -57.9(3) . . . . ?
Sn1 N2 C17 C20 140.7(2) . . . . ?
P1 N2 C17 C18 65.4(3) . . . . ?
Sn1 N2 C17 C18 -96.1(3) . . . . ?
P2 N4 C37 C39 149.5(2) . . . . ?
Sn2 N4 C37 C39 -56.1(3) . . . . ?
P2 N4 C37 C40 30.4(4) . . . . ?
Sn2 N4 C37 C40 -175.22(19) . . . . ?
P2 N4 C37 C38 -91.1(3) . . . . ?
Sn2 N4 C37 C38 63.3(3) . . . . ?
C11 C12 C13 C14 0.2(4) . . . . ?
C26 C25 C30 C29 2.1(4) . . . . ?
P2 C25 C30 C29 -179.3(2) . . . . ?
P1 N1 C1 C4 -49.1(3) . . . . ?
Sn1 N1 C1 C4 163.31(18) . . . . ?
P1 N1 C1 C3 -167.6(2) . . . . ?
Sn1 N1 C1 C3 44.8(3) . . . . ?
P1 N1 C1 C2 74.1(3) . . . . ?
Sn1 N1 C1 C2 -73.6(3) . . . . ?
C12 C13 C14 C15 -0.1(4) . . . . ?
C12 C11 C16 C15 -0.3(4) . . . . ?
P1 C11 C16 C15 -172.7(2) . . . . ?
C5 C10 C9 C8 0.4(4) . . . . ?
C29 C28 C27 C26 2.0(4) . . . . ?
C5 C6 C7 C8 1.0(5) . . . . ?
C27 C28 C29 C30 -1.6(4) . . . . ?
C25 C30 C29 C28 -0.5(4) . . . . ?
C28 C27 C26 C25 -0.3(4) . . . . ?
C30 C25 C26 C27 -1.7(4) . . . . ?
P2 C25 C26 C27 179.6(2) . . . . ?
C35 C34 C33 C32 -0.8(4) . . . . ?
C31 C32 C33 C34 1.2(4) . . . . ?
C13 C14 C15 C16 -0.2(5) . . . . ?
C11 C16 C15 C14 0.4(4) . . . . ?
C10 C9 C8 C7 -0.9(5) . . . . ?
C6 C7 C8 C9 0.2(5) . . . . ?
