#------------------------------------------------------------------------------
#$Date: 2019-07-17 02:52:33 +0300 (Wed, 17 Jul 2019) $
#$Revision: 217084 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/38/7123860.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_7123860
loop_
_publ_author_name
'Sodreau, Alexandre'
'Lentz, Nicolas'
'Frutos, Maria'
'Ladeira, Sonia'
'Nayral, Celine'
'Delpech, Fabien'
'Madec, David'
_publ_section_title
;
 Symmetric and non-symmetric bis-metallylene iron complexes, precursors of
 iron germanide nanoparticles
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC05063A
_journal_year                    2019
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C44 H92 Cl4 N8 O2 Sn4'
_chemical_formula_sum            'C44 H92 Cl4 N8 O2 Sn4'
_chemical_formula_weight         1381.90
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2018-10-26 deposited with the CCDC.    2019-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.495(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9149(4)
_cell_length_b                   18.3126(8)
_cell_length_c                   16.2508(7)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      36.72
_cell_measurement_theta_min      3.54
_cell_volume                     2856.7(2)
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            49041
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.142
_diffrn_reflns_theta_min         1.706
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.956
_exptl_absorpt_correction_T_max  0.7473
_exptl_absorpt_correction_T_min  0.6153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.882
_refine_diff_density_rms         0.502
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         10869
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0894P)²+1.3348P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1522
_reflns_Friedel_coverage         0
_reflns_number_gt                8833
_reflns_number_total             10869
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc05063a2.cif
_cod_data_source_block           6
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7123860
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
C1 C 0.5777(4) 0.59001(17) 0.25155(19) 0.0280(6) Uani 1 1 d . . . . .
N1 N 0.4695(3) 0.62189(16) 0.27164(16) 0.0273(5) Uani 1 1 d D . . . .
C2 C 0.3346(6) 0.6436(4) 0.2141(5) 0.0329(12) Uani 0.76(2) 1 d D U P A 1
H2 H 0.334531 0.629273 0.154733 0.039 Uiso 0.76(2) 1 calc R U P A 1
C3 C 0.2184(9) 0.6051(7) 0.2387(7) 0.060(3) Uani 0.76(2) 1 d D U P A 1
H3A H 0.227427 0.552396 0.231343 0.089 Uiso 0.76(2) 1 calc R U P A 1
H3B H 0.129263 0.621988 0.202727 0.089 Uiso 0.76(2) 1 calc R U P A 1
H3C H 0.222072 0.615655 0.298395 0.089 Uiso 0.76(2) 1 calc R U P A 1
C4 C 0.3117(9) 0.7247(4) 0.2165(7) 0.064(3) Uani 0.76(2) 1 d D U P A 1
H4A H 0.310479 0.739326 0.274305 0.096 Uiso 0.76(2) 1 calc R U P A 1
H4B H 0.222425 0.737254 0.17727 0.096 Uiso 0.76(2) 1 calc R U P A 1
H4C H 0.387209 0.750247 0.199466 0.096 Uiso 0.76(2) 1 calc R U P A 1
C2' C 0.3294(19) 0.6437(13) 0.218(2) 0.041(4) Uani 0.24(2) 1 d D U P A 2
H2' H 0.33636 0.651995 0.158727 0.049 Uiso 0.24(2) 1 calc R U P A 2
C3' C 0.224(3) 0.5855(16) 0.218(2) 0.049(5) Uani 0.24(2) 1 d D U P A 2
H3D H 0.27235 0.53923 0.236322 0.074 Uiso 0.24(2) 1 calc R U P A 2
H3E H 0.164617 0.579969 0.160368 0.074 Uiso 0.24(2) 1 calc R U P A 2
H3F H 0.167465 0.598876 0.256934 0.074 Uiso 0.24(2) 1 calc R U P A 2
C4' C 0.269(3) 0.7113(14) 0.2488(19) 0.054(5) Uani 0.24(2) 1 d D U P A 2
H4D H 0.216438 0.739126 0.199688 0.081 Uiso 0.24(2) 1 calc R U P A 2
H4E H 0.344768 0.741583 0.282085 0.081 Uiso 0.24(2) 1 calc R U P A 2
H4F H 0.206907 0.697006 0.284333 0.081 Uiso 0.24(2) 1 calc R U P A 2
N2 N 0.6887(3) 0.58913(15) 0.31866(16) 0.0266(5) Uani 1 1 d D . . . .
C5' C 0.8190(15) 0.5459(10) 0.3320(15) 0.036(2) Uani 0.48(4) 1 d D U P B 1
H5' H 0.823347 0.525325 0.275735 0.043 Uiso 0.48(4) 1 calc R U P B 1
C6' C 0.9469(15) 0.5939(11) 0.3636(14) 0.050(3) Uani 0.48(4) 1 d D U P B 1
H6A H 0.945119 0.633988 0.323331 0.075 Uiso 0.48(4) 1 calc R U P B 1
H6B H 1.031269 0.564704 0.368307 0.075 Uiso 0.48(4) 1 calc R U P B 1
H6C H 0.946546 0.614037 0.419422 0.075 Uiso 0.48(4) 1 calc R U P B 1
C7' C 0.8186(13) 0.4833(8) 0.3906(15) 0.041(3) Uani 0.48(4) 1 d D U P B 1
H7A H 0.830698 0.501601 0.448687 0.062 Uiso 0.48(4) 1 calc R U P B 1
H7B H 0.895107 0.449986 0.388756 0.062 Uiso 0.48(4) 1 calc R U P B 1
H7C H 0.729735 0.457225 0.372933 0.062 Uiso 0.48(4) 1 calc R U P B 1
C5 C 0.8096(13) 0.5390(9) 0.3350(13) 0.034(2) Uani 0.52(4) 1 d D U P B 2
H5 H 0.794622 0.503107 0.287245 0.04 Uiso 0.52(4) 1 calc R U P B 2
C6 C 0.9403(15) 0.5824(10) 0.3360(16) 0.056(3) Uani 0.52(4) 1 d D U P B 2
H6D H 0.920608 0.617591 0.289015 0.083 Uiso 0.52(4) 1 calc R U P B 2
H6E H 1.014275 0.549116 0.329441 0.083 Uiso 0.52(4) 1 calc R U P B 2
H6F H 0.97044 0.608625 0.390055 0.083 Uiso 0.52(4) 1 calc R U P B 2
C7 C 0.8251(15) 0.4973(10) 0.4163(10) 0.042(2) Uani 0.52(4) 1 d D U P B 2
H7D H 0.845199 0.531395 0.464374 0.063 Uiso 0.52(4) 1 calc R U P B 2
H7E H 0.901742 0.462306 0.422801 0.063 Uiso 0.52(4) 1 calc R U P B 2
H7F H 0.738408 0.471069 0.414938 0.063 Uiso 0.52(4) 1 calc R U P B 2
C8 C 0.5761(5) 0.5626(2) 0.1607(2) 0.0469(10) Uani 1 1 d D . . . .
C9 C 0.5580(11) 0.6321(5) 0.1021(5) 0.0607(13) Uani 0.625(6) 1 d D U P C 1
H9A H 0.640361 0.663375 0.119972 0.091 Uiso 0.625(6) 1 calc R U P C 1
H9B H 0.475096 0.659204 0.106804 0.091 Uiso 0.625(6) 1 calc R U P C 1
H9C H 0.547379 0.616995 0.042927 0.091 Uiso 0.625(6) 1 calc R U P C 1
C10 C 0.7011(11) 0.5251(5) 0.1459(5) 0.0648(13) Uani 0.625(6) 1 d D U P C 1
H10A H 0.707792 0.475863 0.170276 0.097 Uiso 0.625(6) 1 calc R U P C 1
H10B H 0.784853 0.552934 0.172935 0.097 Uiso 0.625(6) 1 calc R U P C 1
H10C H 0.693055 0.521695 0.084632 0.097 Uiso 0.625(6) 1 calc R U P C 1
C11 C 0.4532(11) 0.5111(5) 0.1289(5) 0.0638(14) Uani 0.625(6) 1 d D U P C 1
H11A H 0.44663 0.498173 0.069478 0.096 Uiso 0.625(6) 1 calc R U P C 1
H11B H 0.367024 0.535344 0.133032 0.096 Uiso 0.625(6) 1 calc R U P C 1
H11C H 0.466914 0.466723 0.16367 0.096 Uiso 0.625(6) 1 calc R U P C 1
C9' C 0.7102(15) 0.5863(8) 0.1373(8) 0.0618(14) Uani 0.375(6) 1 d D U P C 2
H9D H 0.789781 0.560227 0.173264 0.093 Uiso 0.375(6) 1 calc R U P C 2
H9E H 0.723386 0.638997 0.146376 0.093 Uiso 0.375(6) 1 calc R U P C 2
H9F H 0.703171 0.574825 0.077516 0.093 Uiso 0.375(6) 1 calc R U P C 2
C10' C 0.5841(19) 0.4784(6) 0.1644(8) 0.0639(14) Uani 0.375(6) 1 d D U P C 2
H10D H 0.573574 0.458963 0.106987 0.096 Uiso 0.375(6) 1 calc R U P C 2
H10E H 0.509376 0.459446 0.188065 0.096 Uiso 0.375(6) 1 calc R U P C 2
H10F H 0.674524 0.463473 0.200609 0.096 Uiso 0.375(6) 1 calc R U P C 2
C11' C 0.4504(15) 0.5741(8) 0.0872(7) 0.0639(14) Uani 0.375(6) 1 d D U P C 2
H11D H 0.437093 0.626447 0.075557 0.096 Uiso 0.375(6) 1 calc R U P C 2
H11E H 0.367589 0.553986 0.101614 0.096 Uiso 0.375(6) 1 calc R U P C 2
H11F H 0.464785 0.549251 0.036626 0.096 Uiso 0.375(6) 1 calc R U P C 2
C12 C 0.5222(4) 0.78846(18) 0.3976(2) 0.0304(6) Uani 1 1 d . . . . .
C13 C 0.7298(5) 0.7994(2) 0.3343(3) 0.0420(9) Uani 1 1 d . . . . .
H13 H 0.711011 0.853021 0.334651 0.05 Uiso 1 1 calc R U . . .
C14 C 0.7209(7) 0.7760(3) 0.2433(4) 0.0649(16) Uani 1 1 d . . . . .
H14A H 0.738764 0.723457 0.241856 0.097 Uiso 1 1 calc R U . . .
H14B H 0.790452 0.802723 0.221697 0.097 Uiso 1 1 calc R U . . .
H14C H 0.627587 0.786786 0.207786 0.097 Uiso 1 1 calc R U . . .
C15 C 0.8749(5) 0.7851(3) 0.3902(4) 0.0631(14) Uani 1 1 d . . . . .
H15A H 0.87624 0.795323 0.449586 0.095 Uiso 1 1 calc R U . . .
H15B H 0.942001 0.816882 0.372458 0.095 Uiso 1 1 calc R U . . .
H15C H 0.89997 0.733926 0.384548 0.095 Uiso 1 1 calc R U . . .
C16 C 0.3603(4) 0.7432(2) 0.4841(2) 0.0363(7) Uani 1 1 d . . . . .
H16 H 0.292671 0.782743 0.459678 0.044 Uiso 1 1 calc R U . . .
C17 C 0.2788(5) 0.6735(2) 0.4857(3) 0.0458(9) Uani 1 1 d . . . . .
H17A H 0.231852 0.659376 0.42738 0.069 Uiso 1 1 calc R U . . .
H17B H 0.209263 0.681567 0.518241 0.069 Uiso 1 1 calc R U . . .
H17C H 0.342581 0.634537 0.512379 0.069 Uiso 1 1 calc R U . . .
C18 C 0.4374(5) 0.7657(2) 0.5738(3) 0.0463(9) Uani 1 1 d . . . . .
H18A H 0.504202 0.727527 0.599186 0.069 Uiso 1 1 calc R U . . .
H18B H 0.370405 0.772532 0.60841 0.069 Uiso 1 1 calc R U . . .
H18C H 0.487307 0.811575 0.571548 0.069 Uiso 1 1 calc R U . . .
C19 C 0.4867(5) 0.8714(2) 0.3918(3) 0.0462(9) Uani 1 1 d . . . . .
C20 C 0.4647(7) 0.8980(3) 0.2986(4) 0.0616(14) Uani 1 1 d . . . . .
H20A H 0.377163 0.87798 0.263793 0.092 Uiso 1 1 calc R U . . .
H20B H 0.542321 0.88125 0.276108 0.092 Uiso 1 1 calc R U . . .
H20C H 0.460591 0.951434 0.296974 0.092 Uiso 1 1 calc R U . . .
C21 C 0.6074(6) 0.9119(2) 0.4533(4) 0.0580(13) Uani 1 1 d . . . . .
H21A H 0.589753 0.964568 0.449288 0.087 Uiso 1 1 calc R U . . .
H21B H 0.694952 0.901273 0.437985 0.087 Uiso 1 1 calc R U . . .
H21C H 0.614232 0.895483 0.511575 0.087 Uiso 1 1 calc R U . . .
C22 C 0.3530(6) 0.8951(3) 0.4164(4) 0.0636(15) Uani 1 1 d . . . . .
H22A H 0.361718 0.884074 0.476473 0.095 Uiso 1 1 calc R U . . .
H22B H 0.273092 0.868709 0.381346 0.095 Uiso 1 1 calc R U . . .
H22C H 0.33914 0.947761 0.406924 0.095 Uiso 1 1 calc R U . . .
N3 N 0.6253(3) 0.76117(15) 0.36840(18) 0.0296(5) Uani 1 1 d . . . . .
N4 N 0.4574(3) 0.73498(15) 0.42957(19) 0.0302(5) Uani 1 1 d . . . . .
Cl1 Cl 0.78064(10) 0.66046(6) 0.52849(6) 0.0415(2) Uani 1 1 d . . . . .
Cl2 Cl 0.53920(15) 0.58778(6) 0.67346(6) 0.0532(3) Uani 1 1 d . . . . .
Sn1 Sn 0.58691(2) 0.64782(2) 0.40184(2) 0.02120(7) Uani 1 1 d . . . . .
Sn2 Sn 0.64467(2) 0.51531(2) 0.57710(2) 0.02889(7) Uani 1 1 d . . . . .
O1 O 0.5262(2) 0.56073(12) 0.46089(13) 0.0248(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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.006 '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
N1 C1 N2 110.7(3) . .
N1 C1 C8 123.8(3) . .
N2 C1 C8 125.4(3) . .
N1 C1 Sn1 56.04(15) . .
N2 C1 Sn1 54.68(15) . .
C8 C1 Sn1 175.0(3) . .
C1 N1 C2 128.2(4) . .
C1 N1 C2' 131.6(13) . .
C1 N1 Sn1 93.77(19) . .
C2 N1 Sn1 136.6(4) . .
C2' N1 Sn1 133.7(12) . .
N1 C2 C3 109.9(6) . .
N1 C2 C4 111.6(5) . .
C3 C2 C4 109.2(7) . .
N1 C2 H2 108.7 . .
C3 C2 H2 108.7 . .
C4 C2 H2 108.7 . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C3' C2' N1 111(2) . .
C3' C2' C4' 105(2) . .
N1 C2' C4' 114.6(18) . .
C3' C2' H2' 108.8 . .
N1 C2' H2' 108.8 . .
C4' C2' H2' 108.8 . .
C2' C3' H3D 109.5 . .
C2' C3' H3E 109.5 . .
H3D C3' H3E 109.5 . .
C2' C3' H3F 109.5 . .
H3D C3' H3F 109.5 . .
H3E C3' H3F 109.5 . .
C2' C4' H4D 109.5 . .
C2' C4' H4E 109.5 . .
H4D C4' H4E 109.5 . .
C2' C4' H4F 109.5 . .
H4D C4' H4F 109.5 . .
H4E C4' H4F 109.5 . .
C1 N2 C5 128.0(9) . .
C1 N2 C5' 129.2(10) . .
C1 N2 Sn1 94.94(19) . .
C5 N2 Sn1 132.8(9) . .
C5' N2 Sn1 134.3(10) . .
N2 C5' C7' 111.2(11) . .
N2 C5' C6' 111.2(13) . .
C7' C5' C6' 111.3(14) . .
N2 C5' H5' 107.6 . .
C7' C5' H5' 107.6 . .
C6' C5' H5' 107.6 . .
C5' C6' H6A 109.5 . .
C5' C6' H6B 109.5 . .
H6A C6' H6B 109.5 . .
C5' C6' H6C 109.5 . .
H6A C6' H6C 109.5 . .
H6B C6' H6C 109.5 . .
C5' C7' H7A 109.5 . .
C5' C7' H7B 109.5 . .
H7A C7' H7B 109.5 . .
C5' C7' H7C 109.5 . .
H7A C7' H7C 109.5 . .
H7B C7' H7C 109.5 . .
N2 C5 C7 112.0(12) . .
N2 C5 C6 109.2(11) . .
C7 C5 C6 111.0(13) . .
N2 C5 H5 108.2 . .
C7 C5 H5 108.2 . .
C6 C5 H5 108.2 . .
C5 C6 H6D 109.5 . .
C5 C6 H6E 109.5 . .
H6D C6 H6E 109.5 . .
C5 C6 H6F 109.5 . .
H6D C6 H6F 109.5 . .
H6E C6 H6F 109.5 . .
C5 C7 H7D 109.5 . .
C5 C7 H7E 109.5 . .
H7D C7 H7E 109.5 . .
C5 C7 H7F 109.5 . .
H7D C7 H7F 109.5 . .
H7E C7 H7F 109.5 . .
C10 C8 C11 106.7(6) . .
C11' C8 C9' 111.1(8) . .
C11' C8 C10' 101.2(8) . .
C9' C8 C10' 104.7(9) . .
C10 C8 C1 119.4(5) . .
C11' C8 C1 121.0(6) . .
C11 C8 C1 109.8(4) . .
C9' C8 C1 109.8(5) . .
C10' C8 C1 107.2(5) . .
C10 C8 C9 104.4(6) . .
C11 C8 C9 109.6(6) . .
C1 C8 C9 106.6(4) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C8 C9' H9D 109.5 . .
C8 C9' H9E 109.5 . .
H9D C9' H9E 109.5 . .
C8 C9' H9F 109.5 . .
H9D C9' H9F 109.5 . .
H9E C9' H9F 109.5 . .
C8 C10' H10D 109.5 . .
C8 C10' H10E 109.5 . .
H10D C10' H10E 109.5 . .
C8 C10' H10F 109.5 . .
H10D C10' H10F 109.5 . .
H10E C10' H10F 109.5 . .
C8 C11' H11D 109.5 . .
C8 C11' H11E 109.5 . .
H11D C11' H11E 109.5 . .
C8 C11' H11F 109.5 . .
H11D C11' H11F 109.5 . .
H11E C11' H11F 109.5 . .
N3 C12 N4 110.4(3) . .
N3 C12 C19 121.9(3) . .
N4 C12 C19 127.7(3) . .
N3 C12 Sn1 55.98(17) . .
N4 C12 Sn1 54.45(16) . .
C19 C12 Sn1 177.6(2) . .
N3 C13 C15 110.2(4) . .
N3 C13 C14 110.9(3) . .
C15 C13 C14 110.4(4) . .
N3 C13 H13 108.4 . .
C15 C13 H13 108.4 . .
C14 C13 H13 108.4 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N4 C16 C17 110.9(3) . .
N4 C16 C18 110.9(3) . .
C17 C16 C18 110.8(4) . .
N4 C16 H16 108 . .
C17 C16 H16 108 . .
C18 C16 H16 108 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C22 C19 C21 106.0(4) . .
C22 C19 C20 104.1(4) . .
C21 C19 C20 112.2(4) . .
C22 C19 C12 117.1(4) . .
C21 C19 C12 107.6(4) . .
C20 C19 C12 109.8(3) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C12 N3 C13 129.4(3) . .
C12 N3 Sn1 94.0(2) . .
C13 N3 Sn1 136.4(2) . .
C12 N4 C16 127.4(3) . .
C12 N4 Sn1 95.20(19) . .
C16 N4 Sn1 135.4(2) . .
O1 Sn1 N2 98.33(9) . .
O1 Sn1 N4 102.68(10) . .
N2 Sn1 N4 152.82(10) . .
O1 Sn1 N1 97.89(10) . .
N2 Sn1 N1 60.56(10) . .
N4 Sn1 N1 99.26(11) . .
O1 Sn1 N3 161.36(9) . .
N2 Sn1 N3 100.23(10) . .
N4 Sn1 N3 60.32(10) . .
N1 Sn1 N3 92.79(11) . .
O1 Sn1 Cl1 86.56(7) . .
N2 Sn1 Cl1 100.46(8) . .
N4 Sn1 Cl1 97.86(9) . .
N1 Sn1 Cl1 160.89(8) . .
N3 Sn1 Cl1 88.32(8) . .
O1 Sn1 C1 100.16(9) . .
N2 Sn1 C1 30.38(10) . .
N4 Sn1 C1 127.05(11) . .
N1 Sn1 C1 30.19(10) . .
N3 Sn1 C1 96.76(10) . .
Cl1 Sn1 C1 130.76(8) . .
O1 Sn1 C12 132.65(9) . .
N2 Sn1 C12 127.88(10) . .
N4 Sn1 C12 30.35(10) . .
N1 Sn1 C12 96.81(11) . .
N3 Sn1 C12 29.98(10) . .
Cl1 Sn1 C12 93.66(8) . .
C1 Sn1 C12 114.40(10) . .
O1 Sn2 O1 77.24(9) . 3_666
O1 Sn2 Cl2 97.19(6) . .
O1 Sn2 Cl2 95.80(7) 3_666 .
Sn1 O1 Sn2 124.33(11) . .
Sn1 O1 Sn2 132.52(10) . 3_666
Sn2 O1 Sn2 102.76(9) . 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.332(4) .
C1 N2 1.342(4) .
C1 C8 1.557(5) .
C1 Sn1 2.642(3) .
N1 C2 1.481(6) .
N1 C2' 1.496(16) .
N1 Sn1 2.197(3) .
C2 C3 1.489(8) .
C2 C4 1.503(9) .
C2 H2 1 .
C3 H3A 0.98 .
C3 H3B 0.98 .
C3 H3C 0.98 .
C4 H4A 0.98 .
C4 H4B 0.98 .
C4 H4C 0.98 .
C2' C3' 1.489(17) .
C2' C4' 1.511(19) .
C2' H2' 1 .
C3' H3D 0.98 .
C3' H3E 0.98 .
C3' H3F 0.98 .
C4' H4D 0.98 .
C4' H4E 0.98 .
C4' H4F 0.98 .
N2 C5 1.480(11) .
N2 C5' 1.484(11) .
N2 Sn1 2.164(2) .
C5' C7' 1.490(13) .
C5' C6' 1.523(14) .
C5' H5' 1 .
C6' H6A 0.98 .
C6' H6B 0.98 .
C6' H6C 0.98 .
C7' H7A 0.98 .
C7' H7B 0.98 .
C7' H7C 0.98 .
C5 C7 1.500(13) .
C5 C6 1.518(12) .
C5 H5 1 .
C6 H6D 0.98 .
C6 H6E 0.98 .
C6 H6F 0.98 .
C7 H7D 0.98 .
C7 H7E 0.98 .
C7 H7F 0.98 .
C8 C10 1.488(10) .
C8 C11' 1.510(13) .
C8 C11 1.525(10) .
C8 C9' 1.534(13) .
C8 C10' 1.543(13) .
C8 C9 1.573(9) .
C9 H9A 0.98 .
C9 H9B 0.98 .
C9 H9C 0.98 .
C10 H10A 0.98 .
C10 H10B 0.98 .
C10 H10C 0.98 .
C11 H11A 0.98 .
C11 H11B 0.98 .
C11 H11C 0.98 .
C9' H9D 0.98 .
C9' H9E 0.98 .
C9' H9F 0.98 .
C10' H10D 0.98 .
C10' H10E 0.98 .
C10' H10F 0.98 .
C11' H11D 0.98 .
C11' H11E 0.98 .
C11' H11F 0.98 .
C12 N3 1.328(4) .
C12 N4 1.345(4) .
C12 C19 1.556(5) .
C12 Sn1 2.651(3) .
C13 N3 1.469(4) .
C13 C15 1.519(8) .
C13 C14 1.521(6) .
C13 H13 1 .
C14 H14A 0.98 .
C14 H14B 0.98 .
C14 H14C 0.98 .
C15 H15A 0.98 .
C15 H15B 0.98 .
C15 H15C 0.98 .
C16 N4 1.470(4) .
C16 C17 1.513(6) .
C16 C18 1.524(6) .
C16 H16 1 .
C17 H17A 0.98 .
C17 H17B 0.98 .
C17 H17C 0.98 .
C18 H18A 0.98 .
C18 H18B 0.98 .
C18 H18C 0.98 .
C19 C22 1.540(6) .
C19 C21 1.543(7) .
C19 C20 1.554(7) .
C20 H20A 0.98 .
C20 H20B 0.98 .
C20 H20C 0.98 .
C21 H21A 0.98 .
C21 H21B 0.98 .
C21 H21C 0.98 .
C22 H22A 0.98 .
C22 H22B 0.98 .
C22 H22C 0.98 .
N3 Sn1 2.203(3) .
N4 Sn1 2.166(3) .
Cl1 Sn1 2.4494(9) .
Cl2 Sn2 2.4753(11) .
Sn1 O1 2.029(2) .
Sn2 O1 2.128(2) .
Sn2 O1 2.160(2) 3_666
