#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:27:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179750 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/46/7004642.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_7004642
loop_
_publ_author_name
'Merrill, W. Alexander'
'Steiner, Jochen'
'Betzer, Audra'
'Nowik, Israel'
'Herber, Rolfe'
'Power, Philip P.'
_publ_section_title
;
 Synthesis and characterization of the unstable primary amido tin(ii)
 dimer Sn2{N(H)Dipp}4 (Dipp = C6H3-2,6-Pri2) and the first sesqui-amido
 hemi-chloride derivative Sn2{N(H)Dipp}3Cl: facile conversion of a
 primary amide to the imide (SnNDipp)4
;
_journal_issue                   43
_journal_name_full               'Dalton Transactions'
_journal_page_first              5905
_journal_page_last               5910
_journal_paper_doi               10.1039/B809671F
_journal_year                    2008
_chemical_formula_moiety         'C36 H54 Cl N3 Sn2'
_chemical_formula_sum            'C36 H54 Cl N3 Sn2'
_chemical_formula_weight         801.65
_chemical_melting_point          399
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.017(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9777(5)
_cell_length_b                   14.6393(5)
_cell_length_c                   19.3383(7)
_cell_measurement_reflns_used    9230
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      2.6
_cell_volume                     3638.1(2)
_computing_cell_refinement       'SAINT (7.16b) (Bruker, 2004)'
_computing_data_collection       'SMART (Version 5.054) (Bruker, 2002)'
_computing_data_reduction        'SAINT (7.16b) (Bruker, 2004)'
_computing_molecular_graphics    'Diamond (3.0)'
_computing_publication_material  'Diamond (3.0)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0126
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            48673
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.474
_exptl_absorpt_correction_T_max  0.624
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         8365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0177
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0235P)²+2.1587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0464
_reflns_number_gt                7728
_reflns_number_total             8365
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            B809671F.txt
_cod_data_source_block           snba1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7004642
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.130023(8) 0.038810(7) 0.174702(5) 0.01607(3) Uani 1 1 d . . .
Sn2 Sn 0.244943(8) 0.254839(7) 0.176233(5) 0.01661(3) Uani 1 1 d . . .
Cl1 Cl 0.27368(3) 0.27869(3) 0.30498(2) 0.02604(8) Uani 1 1 d . . .
N1 N 0.29017(10) 0.10666(9) 0.19989(7) 0.0166(2) Uani 1 1 d . . .
H1A H 0.2965(14) 0.1074(12) 0.2416(10) 0.015(4) Uiso 1 1 d . . .
N2 N 0.09117(10) 0.18843(9) 0.19266(7) 0.0167(2) Uani 1 1 d . . .
H2A H 0.0970(14) 0.1912(13) 0.2359(10) 0.018(5) Uiso 1 1 d . . .
N3 N 0.12435(11) 0.02004(9) 0.28186(7) 0.0198(3) Uani 1 1 d . . .
H3A H 0.1590(15) 0.0548(13) 0.3046(10) 0.016(5) Uiso 1 1 d . . .
C10 C 0.38758(11) 0.08102(10) 0.17757(8) 0.0168(3) Uani 1 1 d . . .
C11 C 0.47527(12) 0.06227(10) 0.22821(8) 0.0187(3) Uani 1 1 d . . .
C12 C 0.57212(13) 0.05240(11) 0.20553(9) 0.0234(3) Uani 1 1 d . . .
H12A H 0.6318 0.0417 0.2390 0.028 Uiso 1 1 calc R . .
C13 C 0.58350(13) 0.05785(12) 0.13536(9) 0.0245(3) Uani 1 1 d . . .
H13A H 0.6506 0.0542 0.1212 0.029 Uiso 1 1 calc R . .
C14 C 0.49581(12) 0.06872(11) 0.08623(8) 0.0219(3) Uani 1 1 d . . .
H14A H 0.5031 0.0690 0.0380 0.026 Uiso 1 1 calc R . .
C15 C 0.39676(12) 0.07927(10) 0.10593(8) 0.0181(3) Uani 1 1 d . . .
C20 C -0.01341(11) 0.21403(10) 0.16515(8) 0.0179(3) Uani 1 1 d . . .
C21 C -0.04263(12) 0.22235(11) 0.09250(8) 0.0196(3) Uani 1 1 d . . .
C22 C -0.14537(14) 0.24565(13) 0.06689(9) 0.0284(4) Uani 1 1 d . . .
H22A H -0.1657 0.2507 0.0179 0.034 Uiso 1 1 calc R . .
C23 C -0.21801(15) 0.26153(16) 0.11143(11) 0.0380(5) Uani 1 1 d . . .
H23A H -0.2871 0.2788 0.0933 0.046 Uiso 1 1 calc R . .
C24 C -0.18914(15) 0.25207(14) 0.18263(10) 0.0346(4) Uani 1 1 d . . .
H24A H -0.2394 0.2628 0.2130 0.041 Uiso 1 1 calc R . .
C25 C -0.08861(13) 0.22731(12) 0.21114(9) 0.0231(3) Uani 1 1 d . . .
C30 C 0.09393(12) -0.04685(10) 0.32623(8) 0.0169(3) Uani 1 1 d . . .
C31 C 0.02525(11) -0.11855(10) 0.30037(8) 0.0185(3) Uani 1 1 d . . .
C32 C -0.00223(12) -0.18449(11) 0.34658(9) 0.0223(3) Uani 1 1 d . . .
H32A H -0.0463 -0.2335 0.3290 0.027 Uiso 1 1 calc R . .
C33 C 0.03339(14) -0.18020(12) 0.41760(9) 0.0258(3) Uani 1 1 d . . .
H33A H 0.0135 -0.2255 0.4484 0.031 Uiso 1 1 calc R . .
C34 C 0.09805(13) -0.10932(11) 0.44304(8) 0.0239(3) Uani 1 1 d . . .
H34A H 0.1213 -0.1060 0.4918 0.029 Uiso 1 1 calc R . .
C35 C 0.13024(12) -0.04256(10) 0.39934(8) 0.0189(3) Uani 1 1 d . . .
C110 C 0.46318(12) 0.04875(11) 0.30500(8) 0.0213(3) Uani 1 1 d . . .
H11A H 0.4208 0.1007 0.3194 0.026 Uiso 1 1 calc R . .
C111 C 0.40345(15) -0.04081(11) 0.31446(9) 0.0267(4) Uani 1 1 d . . .
H11B H 0.3877 -0.0445 0.3625 0.040 Uiso 1 1 calc R . .
H11C H 0.4464 -0.0932 0.3050 0.040 Uiso 1 1 calc R . .
H11D H 0.3384 -0.0415 0.2819 0.040 Uiso 1 1 calc R . .
C112 C 0.56573(14) 0.04639(13) 0.35473(9) 0.0307(4) Uani 1 1 d . . .
H11E H 0.6048 0.1026 0.3494 0.046 Uiso 1 1 calc R . .
H11F H 0.6069 -0.0064 0.3436 0.046 Uiso 1 1 calc R . .
H11G H 0.5511 0.0414 0.4030 0.046 Uiso 1 1 calc R . .
C150 C 0.30198(12) 0.07931(11) 0.04970(8) 0.0206(3) Uani 1 1 d . . .
H15A H 0.2421 0.1042 0.0712 0.025 Uiso 1 1 calc R . .
C151 C 0.27536(14) -0.02004(12) 0.02807(9) 0.0274(4) Uani 1 1 d . . .
H15B H 0.2662 -0.0560 0.0695 0.041 Uiso 1 1 calc R . .
H15C H 0.3321 -0.0461 0.0058 0.041 Uiso 1 1 calc R . .
H15D H 0.2108 -0.0213 -0.0049 0.041 Uiso 1 1 calc R . .
C152 C 0.31320(14) 0.13798(13) -0.01450(9) 0.0288(4) Uani 1 1 d . . .
H15E H 0.3277 0.2013 0.0001 0.043 Uiso 1 1 calc R . .
H15F H 0.2484 0.1356 -0.0473 0.043 Uiso 1 1 calc R . .
H15G H 0.3706 0.1145 -0.0374 0.043 Uiso 1 1 calc R . .
C210 C 0.03285(12) 0.20847(11) 0.04012(8) 0.0191(3) Uani 1 1 d . . .
H21A H 0.1007 0.1883 0.0666 0.023 Uiso 1 1 calc R . .
C211 C 0.05235(15) 0.29791(12) 0.00309(9) 0.0294(4) Uani 1 1 d . . .
H21B H 0.0737 0.3453 0.0379 0.044 Uiso 1 1 calc R . .
H21C H -0.0117 0.3170 -0.0263 0.044 Uiso 1 1 calc R . .
H21D H 0.1075 0.2887 -0.0260 0.044 Uiso 1 1 calc R . .
C212 C -0.00357(14) 0.13393(12) -0.01332(9) 0.0271(3) Uani 1 1 d . . .
H21E H -0.0203 0.0784 0.0111 0.041 Uiso 1 1 calc R . .
H21F H 0.0519 0.1207 -0.0414 0.041 Uiso 1 1 calc R . .
H21G H -0.0656 0.1550 -0.0439 0.041 Uiso 1 1 calc R . .
C250 C -0.06128(13) 0.21505(12) 0.28988(8) 0.0242(3) Uani 1 1 d . . .
H25A H -0.0057 0.1674 0.2975 0.029 Uiso 1 1 calc R . .
C251 C -0.15261(15) 0.18117(16) 0.32617(10) 0.0377(5) Uani 1 1 d . . .
H25B H -0.1857 0.1287 0.3006 0.056 Uiso 1 1 calc R . .
H25C H -0.2037 0.2304 0.3268 0.056 Uiso 1 1 calc R . .
H25D H -0.1265 0.1629 0.3742 0.056 Uiso 1 1 calc R . .
C252 C -0.01601(16) 0.30231(13) 0.32524(10) 0.0344(4) Uani 1 1 d . . .
H25E H 0.0466 0.3199 0.3054 0.052 Uiso 1 1 calc R . .
H25F H 0.0021 0.2915 0.3755 0.052 Uiso 1 1 calc R . .
H25G H -0.0676 0.3514 0.3175 0.052 Uiso 1 1 calc R . .
C310 C -0.02317(12) -0.12106(11) 0.22413(8) 0.0210(3) Uani 1 1 d . . .
H31A H 0.0325 -0.1037 0.1957 0.025 Uiso 1 1 calc R . .
C311 C -0.11007(15) -0.04898(13) 0.20979(11) 0.0335(4) Uani 1 1 d . . .
H31B H -0.0831 0.0108 0.2264 0.050 Uiso 1 1 calc R . .
H31C H -0.1684 -0.0660 0.2343 0.050 Uiso 1 1 calc R . .
H31D H -0.1340 -0.0458 0.1595 0.050 Uiso 1 1 calc R . .
C312 C -0.06403(14) -0.21452(13) 0.19841(9) 0.0284(4) Uani 1 1 d . . .
H31E H -0.0082 -0.2598 0.2075 0.043 Uiso 1 1 calc R . .
H31F H -0.0882 -0.2116 0.1481 0.043 Uiso 1 1 calc R . .
H31G H -0.1220 -0.2322 0.2231 0.043 Uiso 1 1 calc R . .
C350 C 0.19902(13) 0.03595(11) 0.42980(8) 0.0212(3) Uani 1 1 d . . .
H35A H 0.2467 0.0518 0.3952 0.025 Uiso 1 1 calc R . .
C351 C 0.26668(15) 0.01362(13) 0.49870(10) 0.0326(4) Uani 1 1 d . . .
H35B H 0.3164 0.0633 0.5111 0.049 Uiso 1 1 calc R . .
H35C H 0.3046 -0.0434 0.4938 0.049 Uiso 1 1 calc R . .
H35D H 0.2225 0.0066 0.5355 0.049 Uiso 1 1 calc R . .
C352 C 0.13315(14) 0.12110(12) 0.43950(9) 0.0271(3) Uani 1 1 d . . .
H35E H 0.1792 0.1730 0.4531 0.041 Uiso 1 1 calc R . .
H35F H 0.0896 0.1094 0.4760 0.041 Uiso 1 1 calc R . .
H35G H 0.0887 0.1351 0.3955 0.041 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 0.0033 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'
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
N3 Sn1 N2 86.37(5) . . ?
N3 Sn1 N1 90.14(5) . . ?
N2 Sn1 N1 76.42(4) . . ?
N1 Sn2 N2 76.82(5) . . ?
N1 Sn2 Cl1 86.23(3) . . ?
N2 Sn2 Cl1 86.13(3) . . ?
C10 N1 Sn2 113.59(9) . . ?
C10 N1 Sn1 129.06(10) . . ?
Sn2 N1 Sn1 99.75(5) . . ?
C10 N1 H1A 109.5(13) . . ?
Sn2 N1 H1A 100.3(13) . . ?
Sn1 N1 H1A 100.5(13) . . ?
C20 N2 Sn2 129.55(10) . . ?
C20 N2 Sn1 114.26(9) . . ?
Sn2 N2 Sn1 99.87(5) . . ?
C20 N2 H2A 108.0(13) . . ?
Sn2 N2 H2A 99.2(13) . . ?
Sn1 N2 H2A 102.1(13) . . ?
C30 N3 Sn1 138.61(11) . . ?
C30 N3 H3A 107.7(14) . . ?
Sn1 N3 H3A 112.1(14) . . ?
C15 C10 C11 120.37(13) . . ?
C15 C10 N1 119.85(13) . . ?
C11 C10 N1 119.70(13) . . ?
C12 C11 C10 118.25(14) . . ?
C12 C11 C110 120.75(14) . . ?
C10 C11 C110 120.94(13) . . ?
C13 C12 C11 121.66(15) . . ?
C13 C12 H12A 119.2 . . ?
C11 C12 H12A 119.2 . . ?
C14 C13 C12 119.19(15) . . ?
C14 C13 H13A 120.4 . . ?
C12 C13 H13A 120.4 . . ?
C13 C14 C15 121.58(15) . . ?
C13 C14 H14A 119.2 . . ?
C15 C14 H14A 119.2 . . ?
C14 C15 C10 118.50(14) . . ?
C14 C15 C150 119.11(14) . . ?
C10 C15 C150 122.13(13) . . ?
C21 C20 C25 119.94(14) . . ?
C21 C20 N2 120.06(13) . . ?
C25 C20 N2 119.95(14) . . ?
C22 C21 C20 119.02(15) . . ?
C22 C21 C210 117.94(14) . . ?
C20 C21 C210 123.03(14) . . ?
C23 C22 C21 121.31(17) . . ?
C23 C22 H22A 119.3 . . ?
C21 C22 H22A 119.3 . . ?
C24 C23 C22 119.34(17) . . ?
C24 C23 H23A 120.3 . . ?
C22 C23 H23A 120.3 . . ?
C23 C24 C25 121.97(17) . . ?
C23 C24 H24A 119.0 . . ?
C25 C24 H24A 119.0 . . ?
C24 C25 C20 118.35(15) . . ?
C24 C25 C250 120.06(15) . . ?
C20 C25 C250 121.59(14) . . ?
N3 C30 C31 121.28(14) . . ?
N3 C30 C35 119.71(14) . . ?
C31 C30 C35 119.00(14) . . ?
C32 C31 C30 119.28(14) . . ?
C32 C31 C310 119.76(14) . . ?
C30 C31 C310 120.86(13) . . ?
C33 C32 C31 121.52(15) . . ?
C33 C32 H32A 119.2 . . ?
C31 C32 H32A 119.2 . . ?
C34 C33 C32 119.23(15) . . ?
C34 C33 H33A 120.4 . . ?
C32 C33 H33A 120.4 . . ?
C33 C34 C35 121.97(15) . . ?
C33 C34 H34A 119.0 . . ?
C35 C34 H34A 119.0 . . ?
C34 C35 C30 118.96(14) . . ?
C34 C35 C350 120.25(14) . . ?
C30 C35 C350 120.73(14) . . ?
C11 C110 C112 114.57(14) . . ?
C11 C110 C111 110.23(13) . . ?
C112 C110 C111 108.23(14) . . ?
C11 C110 H11A 107.9 . . ?
C112 C110 H11A 107.9 . . ?
C111 C110 H11A 107.9 . . ?
C110 C111 H11B 109.5 . . ?
C110 C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C110 C111 H11D 109.5 . . ?
H11B C111 H11D 109.5 . . ?
H11C C111 H11D 109.5 . . ?
C110 C112 H11E 109.5 . . ?
C110 C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C110 C112 H11G 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
C15 C150 C152 114.82(13) . . ?
C15 C150 C151 108.77(13) . . ?
C152 C150 C151 110.63(14) . . ?
C15 C150 H15A 107.4 . . ?
C152 C150 H15A 107.4 . . ?
C151 C150 H15A 107.4 . . ?
C150 C151 H15B 109.5 . . ?
C150 C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C150 C151 H15D 109.5 . . ?
H15B C151 H15D 109.5 . . ?
H15C C151 H15D 109.5 . . ?
C150 C152 H15E 109.5 . . ?
C150 C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C150 C152 H15G 109.5 . . ?
H15E C152 H15G 109.5 . . ?
H15F C152 H15G 109.5 . . ?
C21 C210 C211 111.22(13) . . ?
C21 C210 C212 112.24(13) . . ?
C211 C210 C212 110.45(13) . . ?
C21 C210 H21A 107.6 . . ?
C211 C210 H21A 107.6 . . ?
C212 C210 H21A 107.6 . . ?
C210 C211 H21B 109.5 . . ?
C210 C211 H21C 109.5 . . ?
H21B C211 H21C 109.5 . . ?
C210 C211 H21D 109.5 . . ?
H21B C211 H21D 109.5 . . ?
H21C C211 H21D 109.5 . . ?
C210 C212 H21E 109.5 . . ?
C210 C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C210 C212 H21G 109.5 . . ?
H21E C212 H21G 109.5 . . ?
H21F C212 H21G 109.5 . . ?
C25 C250 C252 111.71(15) . . ?
C25 C250 C251 113.95(14) . . ?
C252 C250 C251 109.73(15) . . ?
C25 C250 H25A 107.0 . . ?
C252 C250 H25A 107.0 . . ?
C251 C250 H25A 107.0 . . ?
C250 C251 H25B 109.5 . . ?
C250 C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C250 C251 H25D 109.5 . . ?
H25B C251 H25D 109.5 . . ?
H25C C251 H25D 109.5 . . ?
C250 C252 H25E 109.5 . . ?
C250 C252 H25F 109.5 . . ?
H25E C252 H25F 109.5 . . ?
C250 C252 H25G 109.5 . . ?
H25E C252 H25G 109.5 . . ?
H25F C252 H25G 109.5 . . ?
C31 C310 C312 114.57(13) . . ?
C31 C310 C311 110.55(14) . . ?
C312 C310 C311 110.06(14) . . ?
C31 C310 H31A 107.1 . . ?
C312 C310 H31A 107.1 . . ?
C311 C310 H31A 107.1 . . ?
C310 C311 H31B 109.5 . . ?
C310 C311 H31C 109.5 . . ?
H31B C311 H31C 109.5 . . ?
C310 C311 H31D 109.5 . . ?
H31B C311 H31D 109.5 . . ?
H31C C311 H31D 109.5 . . ?
C310 C312 H31E 109.5 . . ?
C310 C312 H31F 109.5 . . ?
H31E C312 H31F 109.5 . . ?
C310 C312 H31G 109.5 . . ?
H31E C312 H31G 109.5 . . ?
H31F C312 H31G 109.5 . . ?
C35 C350 C351 114.28(14) . . ?
C35 C350 C352 110.69(13) . . ?
C351 C350 C352 109.22(14) . . ?
C35 C350 H35A 107.5 . . ?
C351 C350 H35A 107.5 . . ?
C352 C350 H35A 107.5 . . ?
C350 C351 H35B 109.5 . . ?
C350 C351 H35C 109.5 . . ?
H35B C351 H35C 109.5 . . ?
C350 C351 H35D 109.5 . . ?
H35B C351 H35D 109.5 . . ?
H35C C351 H35D 109.5 . . ?
C350 C352 H35E 109.5 . . ?
C350 C352 H35F 109.5 . . ?
H35E C352 H35F 109.5 . . ?
C350 C352 H35G 109.5 . . ?
H35E C352 H35G 109.5 . . ?
H35F C352 H35G 109.5 . . ?
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 N3 2.1019(14) . ?
Sn1 N2 2.2850(13) . ?
Sn1 N1 2.2937(13) . ?
Sn2 N1 2.2770(13) . ?
Sn2 N2 2.2815(12) . ?
Sn2 Cl1 2.4901(4) . ?
N1 C10 1.4414(18) . ?
N1 H1A 0.800(19) . ?
N2 C20 1.4367(19) . ?
N2 H2A 0.829(19) . ?
N3 C30 1.395(2) . ?
N3 H3A 0.77(2) . ?
C10 C15 1.407(2) . ?
C10 C11 1.421(2) . ?
C11 C12 1.395(2) . ?
C11 C110 1.528(2) . ?
C12 C13 1.388(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.386(2) . ?
C13 H13A 0.9500 . ?
C14 C15 1.399(2) . ?
C14 H14A 0.9500 . ?
C15 C150 1.524(2) . ?
C20 C21 1.408(2) . ?
C20 C25 1.422(2) . ?
C21 C22 1.398(2) . ?
C21 C210 1.518(2) . ?
C22 C23 1.382(3) . ?
C22 H22A 0.9500 . ?
C23 C24 1.383(3) . ?
C23 H23A 0.9500 . ?
C24 C25 1.392(2) . ?
C24 H24A 0.9500 . ?
C25 C250 1.525(2) . ?
C30 C31 1.422(2) . ?
C30 C35 1.428(2) . ?
C31 C32 1.395(2) . ?
C31 C310 1.520(2) . ?
C32 C33 1.388(2) . ?
C32 H32A 0.9500 . ?
C33 C34 1.381(2) . ?
C33 H33A 0.9500 . ?
C34 C35 1.394(2) . ?
C34 H34A 0.9500 . ?
C35 C350 1.522(2) . ?
C110 C112 1.530(2) . ?
C110 C111 1.547(2) . ?
C110 H11A 1.0000 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C150 C152 1.533(2) . ?
C150 C151 1.539(2) . ?
C150 H15A 1.0000 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C151 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C152 H15G 0.9800 . ?
C210 C211 1.530(2) . ?
C210 C212 1.532(2) . ?
C210 H21A 1.0000 . ?
C211 H21B 0.9800 . ?
C211 H21C 0.9800 . ?
C211 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C250 C252 1.527(3) . ?
C250 C251 1.541(2) . ?
C250 H25A 1.0000 . ?
C251 H25B 0.9800 . ?
C251 H25C 0.9800 . ?
C251 H25D 0.9800 . ?
C252 H25E 0.9800 . ?
C252 H25F 0.9800 . ?
C252 H25G 0.9800 . ?
C310 C312 1.525(2) . ?
C310 C311 1.541(2) . ?
C310 H31A 1.0000 . ?
C311 H31B 0.9800 . ?
C311 H31C 0.9800 . ?
C311 H31D 0.9800 . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C312 H31G 0.9800 . ?
C350 C351 1.525(2) . ?
C350 C352 1.538(2) . ?
C350 H35A 1.0000 . ?
C351 H35B 0.9800 . ?
C351 H35C 0.9800 . ?
C351 H35D 0.9800 . ?
C352 H35E 0.9800 . ?
C352 H35F 0.9800 . ?
C352 H35G 0.9800 . ?
