#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:19:54 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180178 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/74/7107432.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_7107432
loop_
_publ_author_name
'Sam L. Choong'
'Christian Schenk'
'Andreas Stasch'
'Deepak Dange'
'Cameron Jones'
_publ_section_title
;
 Contrasting reductions of group 14 metal(II) chloride complexes:
 synthesis of a ?-diketiminato tin(I) dimer
;
_journal_name_full               Chem.Commun.
_journal_page_first              2504
_journal_paper_doi               10.1039/c2cc18086c
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C61 H89 N4 Sn2'
_chemical_formula_weight         1115.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.78(3)
_cell_angle_beta                 98.11(3)
_cell_angle_gamma                101.14(3)
_cell_formula_units_Z            2
_cell_length_a                   11.094(2)
_cell_length_b                   11.584(2)
_cell_length_c                   22.708(5)
_cell_measurement_temperature    100(2)
_cell_volume                     2816.2(10)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'Blu-Ice (McPhillips, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    X-Seed
_computing_publication_material  CifTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type  'ADSC Quantum 210r'
_diffrn_radiation_source         'Australian Synchrotron'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0178
_diffrn_reflns_av_sigmaI/netI    0.0154
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            48811
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.60
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.927
_exptl_absorpt_correction_T_max  0.9908
_exptl_absorpt_correction_T_min  0.9727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   XDS
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1166
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.436
_refine_diff_density_min         -1.877
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     629
_refine_ls_number_reflns         12819
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0330
_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)+(0.0487P)²+4.4626P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0905
_reflns_number_gt                11935
_reflns_number_total             12819
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc18086c.txt
_cod_data_source_block           {(MesNac)Sn}2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7107432
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn 0.157766(13) 0.977580(13) 0.237446(7) 0.01462(5) Uani 1 1 d .
N1 N 0.27461(17) 0.99494(17) 0.32655(9) 0.0162(4) Uani 1 1 d .
C1 C 0.3677(2) 1.1444(2) 0.41897(12) 0.0233(5) Uani 1 1 d .
Sn2 Sn 0.271681(13) 1.236588(13) 0.226297(7) 0.01596(5) Uani 1 1 d .
N2 N 0.00649(17) 0.97518(16) 0.29269(9) 0.0157(4) Uani 1 1 d .
C2 C 0.2583(2) 1.0753(2) 0.36946(10) 0.0178(4) Uani 1 1 d .
N3 N 0.13893(18) 1.35165(17) 0.20188(9) 0.0179(4) Uani 1 1 d .
C3 C 0.1430(2) 1.1076(2) 0.37078(11) 0.0206(4) Uani 1 1 d .
H3 H 0.1459 1.1824 0.3921 0.025 Uiso 1 1 calc R
N4 N 0.26382(18) 1.20306(17) 0.12602(9) 0.0165(4) Uani 1 1 d .
C4 C 0.0220(2) 1.0424(2) 0.34418(11) 0.0175(4) Uani 1 1 d .
C5 C -0.0865(2) 1.0527(2) 0.37953(13) 0.0258(5) Uani 1 1 d .
C6 C 0.3350(3) 1.1388(3) 0.48234(13) 0.0363(6) Uani 1 1 d .
H6A H 0.3168 1.0561 0.4906 0.054 Uiso 1 1 calc R
H6B H 0.2618 1.1734 0.4852 0.054 Uiso 1 1 calc R
H6C H 0.4055 1.1834 0.5116 0.054 Uiso 1 1 calc R
C7 C 0.4924(2) 1.1063(3) 0.41843(14) 0.0321(6) Uani 1 1 d .
H7A H 0.5571 1.1605 0.4471 0.048 Uiso 1 1 calc R
H7B H 0.5146 1.1084 0.3782 0.048 Uiso 1 1 calc R
H7C H 0.4852 1.0256 0.4296 0.048 Uiso 1 1 calc R
C8 C 0.3900(3) 1.2750(3) 0.40669(14) 0.0315(6) Uani 1 1 d .
H8A H 0.3164 1.3071 0.4123 0.047 Uiso 1 1 calc R
H8B H 0.4053 1.2803 0.3655 0.047 Uiso 1 1 calc R
H8C H 0.4624 1.3205 0.4345 0.047 Uiso 1 1 calc R
C9 C -0.0531(3) 1.1579(3) 0.42787(17) 0.0429(8) Uani 1 1 d .
H9A H -0.1253 1.1628 0.4476 0.064 Uiso 1 1 calc R
H9B H -0.0286 1.2309 0.4097 0.064 Uiso 1 1 calc R
H9C H 0.0163 1.1478 0.4575 0.064 Uiso 1 1 calc R
C10 C -0.1260(4) 0.9407(3) 0.40745(19) 0.0538(10) Uani 1 1 d .
H10A H -0.0540 0.9240 0.4331 0.081 Uiso 1 1 calc R
H10B H -0.1588 0.8746 0.3759 0.081 Uiso 1 1 calc R
H10C H -0.1907 0.9507 0.4316 0.081 Uiso 1 1 calc R
C11 C -0.2016(3) 1.0751(3) 0.33773(17) 0.0389(7) Uani 1 1 d .
H11A H -0.2373 1.0046 0.3091 0.058 Uiso 1 1 calc R
H11B H -0.1758 1.1428 0.3159 0.058 Uiso 1 1 calc R
H11C H -0.2641 1.0919 0.3618 0.058 Uiso 1 1 calc R
C12 C 0.3514(2) 0.9103(2) 0.33584(10) 0.0174(4) Uani 1 1 d .
C13 C 0.3326(2) 0.8288(2) 0.37822(11) 0.0200(4) Uani 1 1 d .
C14 C 0.4004(2) 0.7390(2) 0.38026(12) 0.0250(5) Uani 1 1 d .
H14 H 0.3866 0.6835 0.4084 0.030 Uiso 1 1 calc R
C15 C 0.4868(3) 0.7276(2) 0.34299(13) 0.0277(5) Uani 1 1 d .
C16 C 0.5061(2) 0.8105(2) 0.30229(12) 0.0236(5) Uani 1 1 d .
H16 H 0.5661 0.8051 0.2768 0.028 Uiso 1 1 calc R
C17 C 0.4403(2) 0.9004(2) 0.29802(11) 0.0190(4) Uani 1 1 d .
C18 C 0.2446(2) 0.8335(3) 0.42289(12) 0.0255(5) Uani 1 1 d .
H18A H 0.1953 0.7539 0.4237 0.038 Uiso 1 1 calc R
H18B H 0.1889 0.8867 0.4112 0.038 Uiso 1 1 calc R
H18C H 0.2925 0.8630 0.4627 0.038 Uiso 1 1 calc R
C19 C 0.5566(4) 0.6281(3) 0.34548(18) 0.0477(9) Uani 1 1 d .
H19A H 0.5423 0.5874 0.3808 0.072 Uiso 1 1 calc R
H19B H 0.6459 0.6604 0.3480 0.072 Uiso 1 1 calc R
H19C H 0.5272 0.5718 0.3093 0.072 Uiso 1 1 calc R
C20 C 0.4672(2) 0.9878(2) 0.25361(12) 0.0230(5) Uani 1 1 d .
H20A H 0.5492 0.9864 0.2425 0.035 Uiso 1 1 calc R
H20B H 0.4666 1.0675 0.2717 0.035 Uiso 1 1 calc R
H20C H 0.4035 0.9664 0.2178 0.035 Uiso 1 1 calc R
C21 C -0.0994(2) 0.88593(19) 0.26471(10) 0.0165(4) Uani 1 1 d .
C22 C -0.1087(2) 0.7685(2) 0.27858(11) 0.0193(4) Uani 1 1 d .
C23 C -0.2022(2) 0.6795(2) 0.24538(13) 0.0237(5) Uani 1 1 d .
H23 H -0.2090 0.6006 0.2552 0.028 Uiso 1 1 calc R
C24 C -0.2857(2) 0.7025(2) 0.19846(12) 0.0241(5) Uani 1 1 d .
C25 C -0.2732(2) 0.8185(2) 0.18484(11) 0.0225(5) Uani 1 1 d .
H25 H -0.3300 0.8359 0.1531 0.027 Uiso 1 1 calc R
C26 C -0.1803(2) 0.9103(2) 0.21617(11) 0.0195(4) Uani 1 1 d .
C27 C -0.0165(3) 0.7363(2) 0.32611(12) 0.0256(5) Uani 1 1 d .
H27A H -0.0268 0.7709 0.3655 0.038 Uiso 1 1 calc R
H27B H 0.0682 0.7669 0.3188 0.038 Uiso 1 1 calc R
H27C H -0.0306 0.6499 0.3251 0.038 Uiso 1 1 calc R
C28 C -0.3848(3) 0.6034(3) 0.16330(16) 0.0373(7) Uani 1 1 d .
H28A H -0.3456 0.5422 0.1464 0.056 Uiso 1 1 calc R
H28B H -0.4323 0.6346 0.1308 0.056 Uiso 1 1 calc R
H28C H -0.4410 0.5690 0.1898 0.056 Uiso 1 1 calc R
C29 C -0.1690(2) 1.0323(2) 0.19670(14) 0.0291(6) Uani 1 1 d .
H29A H -0.2287 1.0721 0.2137 0.044 Uiso 1 1 calc R
H29B H -0.1865 1.0263 0.1529 0.044 Uiso 1 1 calc R
H29C H -0.0844 1.0781 0.2109 0.044 Uiso 1 1 calc R
C30 C 0.1560(3) 1.5607(2) 0.16839(14) 0.0274(5) Uani 1 1 d .
C31 C 0.1787(2) 1.4313(2) 0.16475(12) 0.0205(5) Uani 1 1 d .
C32 C 0.2489(2) 1.4053(2) 0.12119(12) 0.0219(5) Uani 1 1 d .
H32 H 0.2937 1.4726 0.1067 0.026 Uiso 1 1 calc R
C33 C 0.2650(2) 1.2941(2) 0.09457(11) 0.0185(4) Uani 1 1 d .
C34 C 0.2807(2) 1.2955(2) 0.02736(12) 0.0226(5) Uani 1 1 d .
C35 C 0.0937(4) 1.5994(3) 0.2199(2) 0.0583(12) Uani 1 1 d .
H35A H 0.1418 1.5883 0.2579 0.087 Uiso 1 1 calc R
H35B H 0.0091 1.5517 0.2156 0.087 Uiso 1 1 calc R
H35C H 0.0900 1.6832 0.2195 0.087 Uiso 1 1 calc R
C36 C 0.2831(3) 1.6446(2) 0.17629(17) 0.0364(7) Uani 1 1 d .
H36A H 0.2725 1.7267 0.1806 0.055 Uiso 1 1 calc R
H36B H 0.3228 1.6309 0.1411 0.055 Uiso 1 1 calc R
H36C H 0.3357 1.6298 0.2122 0.055 Uiso 1 1 calc R
C37 C 0.0774(3) 1.5816(3) 0.10994(19) 0.0463(9) Uani 1 1 d .
H37A H -0.0069 1.5335 0.1059 0.069 Uiso 1 1 calc R
H37B H 0.1159 1.5590 0.0757 0.069 Uiso 1 1 calc R
H37C H 0.0734 1.6655 0.1112 0.069 Uiso 1 1 calc R
C38 C 0.1637(3) 1.3278(3) -0.00660(14) 0.0350(6) Uani 1 1 d .
H38A H 0.1703 1.3275 -0.0492 0.053 Uiso 1 1 calc R
H38B H 0.1565 1.4068 0.0097 0.053 Uiso 1 1 calc R
H38C H 0.0898 1.2697 -0.0019 0.053 Uiso 1 1 calc R
C39 C 0.3955(3) 1.3914(2) 0.02272(13) 0.0301(6) Uani 1 1 d .
H39A H 0.4692 1.3752 0.0472 0.045 Uiso 1 1 calc R
H39B H 0.3820 1.4693 0.0372 0.045 Uiso 1 1 calc R
H39C H 0.4082 1.3907 -0.0191 0.045 Uiso 1 1 calc R
C40 C 0.2975(3) 1.1811(2) -0.00680(12) 0.0287(5) Uani 1 1 d .
H40A H 0.3030 1.1936 -0.0486 0.043 Uiso 1 1 calc R
H40B H 0.2262 1.1172 -0.0054 0.043 Uiso 1 1 calc R
H40C H 0.3741 1.1595 0.0118 0.043 Uiso 1 1 calc R
C41 C 0.0268(2) 1.35206(19) 0.22574(12) 0.0196(4) Uani 1 1 d .
C42 C 0.0306(2) 1.3775(2) 0.28763(12) 0.0231(5) Uani 1 1 d .
C43 C -0.0794(3) 1.3824(2) 0.30967(13) 0.0277(5) Uani 1 1 d .
H43 H -0.0762 1.4006 0.3515 0.033 Uiso 1 1 calc R
C44 C -0.1938(3) 1.3613(2) 0.27236(15) 0.0305(6) Uani 1 1 d .
C45 C -0.1955(2) 1.3340(2) 0.21177(15) 0.0305(6) Uani 1 1 d .
H45 H -0.2728 1.3195 0.1856 0.037 Uiso 1 1 calc R
C46 C -0.0875(2) 1.3268(2) 0.18754(13) 0.0244(5) Uani 1 1 d .
C47 C 0.1514(3) 1.4043(3) 0.32960(14) 0.0344(6) Uani 1 1 d .
H47A H 0.1368 1.4263 0.3702 0.052 Uiso 1 1 calc R
H47B H 0.2081 1.4701 0.3170 0.052 Uiso 1 1 calc R
H47C H 0.1886 1.3342 0.3292 0.052 Uiso 1 1 calc R
C48 C -0.3125(3) 1.3642(3) 0.29747(19) 0.0443(8) Uani 1 1 d .
H48A H -0.3422 1.2879 0.3117 0.066 Uiso 1 1 calc R
H48B H -0.3760 1.3793 0.2661 0.066 Uiso 1 1 calc R
H48C H -0.2963 1.4273 0.3309 0.066 Uiso 1 1 calc R
C49 C -0.0980(3) 1.2897(3) 0.12113(14) 0.0315(6) Uani 1 1 d .
H49A H -0.1002 1.3588 0.0992 0.047 Uiso 1 1 calc R
H49B H -0.1746 1.2299 0.1075 0.047 Uiso 1 1 calc R
H49C H -0.0261 1.2564 0.1138 0.047 Uiso 1 1 calc R
C50 C 0.2801(2) 1.0889(2) 0.10360(10) 0.0175(4) Uani 1 1 d .
C51 C 0.4010(2) 1.0676(2) 0.10648(11) 0.0199(4) Uani 1 1 d .
C52 C 0.4156(2) 0.9575(2) 0.08199(12) 0.0236(5) Uani 1 1 d .
H52 H 0.4972 0.9430 0.0828 0.028 Uiso 1 1 calc R
C53 C 0.3147(3) 0.8688(2) 0.05663(11) 0.0236(5) Uani 1 1 d .
C54 C 0.1953(2) 0.8893(2) 0.05777(11) 0.0220(5) Uani 1 1 d .
H54 H 0.1253 0.8281 0.0418 0.026 Uiso 1 1 calc R
C55 C 0.1764(2) 0.9984(2) 0.08192(11) 0.0183(4) Uani 1 1 d .
C56 C 0.5133(2) 1.1625(2) 0.13196(12) 0.0247(5) Uani 1 1 d .
H56A H 0.5876 1.1280 0.1361 0.037 Uiso 1 1 calc R
H56B H 0.5028 1.1970 0.1713 0.037 Uiso 1 1 calc R
H56C H 0.5228 1.2244 0.1051 0.037 Uiso 1 1 calc R
C57 C 0.3343(3) 0.7530(3) 0.02732(14) 0.0328(6) Uani 1 1 d .
H57A H 0.3531 0.7634 -0.0130 0.049 Uiso 1 1 calc R
H57B H 0.2586 0.6919 0.0248 0.049 Uiso 1 1 calc R
H57C H 0.4039 0.7288 0.0513 0.049 Uiso 1 1 calc R
C58 C 0.0470(2) 1.0197(2) 0.08183(12) 0.0226(5) Uani 1 1 d .
H58A H 0.0424 1.0622 0.1204 0.034 Uiso 1 1 calc R
H58B H -0.0125 0.9437 0.0755 0.034 Uiso 1 1 calc R
H58C H 0.0267 1.0673 0.0495 0.034 Uiso 1 1 calc R
C59 C 0.0667(3) 1.5279(3) 0.49751(15) 0.0355(6) Uani 1 1 d .
H59A H 0.0708 1.5412 0.4553 0.043 Uiso 1 1 calc R
H59B H 0.0899 1.6062 0.5218 0.043 Uiso 1 1 calc R
C60 C 0.1609(3) 1.4551(3) 0.51761(16) 0.0391(7) Uani 1 1 d .
H60A H 0.1398 1.3776 0.4925 0.047 Uiso 1 1 calc R
H60B H 0.1559 1.4400 0.5596 0.047 Uiso 1 1 calc R
C61 C 0.2934(3) 1.5156(3) 0.51349(19) 0.0489(8) Uani 1 1 d .
H61A H 0.2989 1.5312 0.4721 0.073 Uiso 1 1 calc R
H61B H 0.3504 1.4639 0.5259 0.073 Uiso 1 1 calc R
H61C H 0.3163 1.5905 0.5398 0.073 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'
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
N1 Sn1 N2 82.29(7) . .
N1 Sn1 Sn2 89.05(6) . .
N2 Sn1 Sn2 108.23(5) . .
C2 N1 C12 124.81(19) . .
C2 N1 Sn1 117.96(14) . .
C12 N1 Sn1 116.82(15) . .
C7 C1 C6 108.1(2) . .
C7 C1 C8 106.2(2) . .
C6 C1 C8 107.9(2) . .
C7 C1 C2 115.3(2) . .
C6 C1 C2 112.4(2) . .
C8 C1 C2 106.6(2) . .
N3 Sn2 N4 83.81(8) . .
N3 Sn2 Sn1 116.38(5) . .
N4 Sn2 Sn1 93.39(6) . .
C4 N2 C21 128.82(19) . .
C4 N2 Sn1 122.38(15) . .
C21 N2 Sn1 108.67(14) . .
N1 C2 C3 121.8(2) . .
N1 C2 C1 122.6(2) . .
C3 C2 C1 115.5(2) . .
C31 N3 C41 121.32(19) . .
C31 N3 Sn2 113.39(15) . .
C41 N3 Sn2 125.09(15) . .
C2 C3 C4 128.4(2) . .
C2 C3 H3 115.8 . .
C4 C3 H3 115.8 . .
C33 N4 C50 124.7(2) . .
C33 N4 Sn2 118.05(16) . .
C50 N4 Sn2 116.25(14) . .
N2 C4 C3 120.2(2) . .
N2 C4 C5 122.9(2) . .
C3 C4 C5 116.8(2) . .
C10 C5 C9 109.4(3) . .
C10 C5 C4 110.7(2) . .
C9 C5 C4 112.5(2) . .
C10 C5 C11 108.3(3) . .
C9 C5 C11 104.6(2) . .
C4 C5 C11 111.1(2) . .
C1 C6 H6A 109.5 . .
C1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C1 C7 H7A 109.5 . .
C1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C1 C8 H8A 109.5 . .
C1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C5 C9 H9A 109.5 . .
C5 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C5 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C5 C11 H11A 109.5 . .
C5 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C5 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C17 C12 C13 119.0(2) . .
C17 C12 N1 119.2(2) . .
C13 C12 N1 121.5(2) . .
C14 C13 C12 118.9(2) . .
C14 C13 C18 117.2(2) . .
C12 C13 C18 124.0(2) . .
C15 C14 C13 122.7(2) . .
C15 C14 H14 118.7 . .
C13 C14 H14 118.7 . .
C14 C15 C16 117.7(2) . .
C14 C15 C19 121.3(2) . .
C16 C15 C19 121.0(2) . .
C17 C16 C15 121.9(2) . .
C17 C16 H16 119.0 . .
C15 C16 H16 119.0 . .
C16 C17 C12 119.9(2) . .
C16 C17 C20 119.0(2) . .
C12 C17 C20 121.1(2) . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C15 C19 H19A 109.5 . .
C15 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C15 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C26 C21 C22 119.6(2) . .
C26 C21 N2 119.9(2) . .
C22 C21 N2 119.5(2) . .
C23 C22 C21 119.1(2) . .
C23 C22 C27 119.3(2) . .
C21 C22 C27 121.5(2) . .
C24 C23 C22 122.1(2) . .
C24 C23 H23 118.9 . .
C22 C23 H23 118.9 . .
C23 C24 C25 117.7(2) . .
C23 C24 C28 120.4(2) . .
C25 C24 C28 121.8(3) . .
C24 C25 C26 122.3(2) . .
C24 C25 H25 118.9 . .
C26 C25 H25 118.9 . .
C25 C26 C21 119.1(2) . .
C25 C26 C29 119.0(2) . .
C21 C26 C29 121.9(2) . .
C22 C27 H27A 109.5 . .
C22 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C22 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C24 C28 H28A 109.5 . .
C24 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C24 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C26 C29 H29A 109.5 . .
C26 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C26 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C35 C30 C36 106.0(3) . .
C35 C30 C37 107.2(3) . .
C36 C30 C37 108.4(2) . .
C35 C30 C31 116.6(2) . .
C36 C30 C31 107.4(2) . .
C37 C30 C31 110.9(2) . .
N3 C31 C32 122.0(2) . .
N3 C31 C30 123.9(2) . .
C32 C31 C30 114.1(2) . .
C31 C32 C33 130.7(2) . .
C31 C32 H32 114.6 . .
C33 C32 H32 114.6 . .
N4 C33 C32 120.6(2) . .
N4 C33 C34 126.6(2) . .
C32 C33 C34 112.8(2) . .
C40 C34 C38 106.4(2) . .
C40 C34 C39 106.3(2) . .
C38 C34 C39 109.0(2) . .
C40 C34 C33 118.2(2) . .
C38 C34 C33 107.8(2) . .
C39 C34 C33 108.9(2) . .
C30 C35 H35A 109.5 . .
C30 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C30 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C30 C36 H36A 109.5 . .
C30 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C30 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C30 C37 H37A 109.5 . .
C30 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C30 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C34 C38 H38A 109.5 . .
C34 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C34 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C34 C39 H39A 109.5 . .
C34 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C34 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C34 C40 H40A 109.5 . .
C34 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C34 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C46 C41 C42 119.7(2) . .
C46 C41 N3 120.0(2) . .
C42 C41 N3 120.3(2) . .
C43 C42 C41 119.3(2) . .
C43 C42 C47 119.7(2) . .
C41 C42 C47 120.9(2) . .
C44 C43 C42 122.0(3) . .
C44 C43 H43 119.0 . .
C42 C43 H43 119.0 . .
C45 C44 C43 117.5(2) . .
C45 C44 C48 121.3(3) . .
C43 C44 C48 121.1(3) . .
C44 C45 C46 122.6(3) . .
C44 C45 H45 118.7 . .
C46 C45 H45 118.7 . .
C41 C46 C45 118.8(3) . .
C41 C46 C49 121.9(2) . .
C45 C46 C49 119.3(2) . .
C42 C47 H47A 109.5 . .
C42 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C42 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C44 C48 H48A 109.5 . .
C44 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C44 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C46 C49 H49A 109.5 . .
C46 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C46 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C55 C50 C51 120.7(2) . .
C55 C50 N4 120.1(2) . .
C51 C50 N4 119.2(2) . .
C52 C51 C50 118.4(2) . .
C52 C51 C56 120.1(2) . .
C50 C51 C56 121.4(2) . .
C53 C52 C51 122.0(2) . .
C53 C52 H52 119.0 . .
C51 C52 H52 119.0 . .
C52 C53 C54 118.5(2) . .
C52 C53 C57 120.5(2) . .
C54 C53 C57 121.0(3) . .
C53 C54 C55 121.3(2) . .
C53 C54 H54 119.3 . .
C55 C54 H54 119.3 . .
C50 C55 C54 118.8(2) . .
C50 C55 C58 120.5(2) . .
C54 C55 C58 120.6(2) . .
C51 C56 H56A 109.5 . .
C51 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C51 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C53 C57 H57A 109.5 . .
C53 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C53 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C55 C58 H58A 109.5 . .
C55 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C55 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C60 C59 C59 114.5(3) . 2_586
C60 C59 H59A 108.6 . .
C59 C59 H59A 108.6 2_586 .
C60 C59 H59B 108.6 . .
C59 C59 H59B 108.6 2_586 .
H59A C59 H59B 107.6 . .
C59 C60 C61 112.7(3) . .
C59 C60 H60A 109.0 . .
C61 C60 H60A 109.0 . .
C59 C60 H60B 109.0 . .
C61 C60 H60B 109.0 . .
H60A C60 H60B 107.8 . .
C60 C61 H61A 109.5 . .
C60 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C60 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 N1 2.215(2) .
Sn1 N2 2.2300(19) .
Sn1 Sn2 3.0685(9) .
N1 C2 1.346(3) .
N1 C12 1.428(3) .
C1 C7 1.532(3) .
C1 C6 1.536(4) .
C1 C8 1.540(4) .
C1 C2 1.571(4) .
Sn2 N3 2.215(2) .
Sn2 N4 2.264(2) .
N2 C4 1.320(3) .
N2 C21 1.436(3) .
C2 C3 1.403(3) .
N3 C31 1.354(3) .
N3 C41 1.426(3) .
C3 C4 1.428(3) .
C3 H3 0.9500 .
N4 C33 1.321(3) .
N4 C50 1.431(3) .
C4 C5 1.556(3) .
C5 C10 1.507(4) .
C5 C9 1.522(4) .
C5 C11 1.557(4) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C17 1.410(3) .
C12 C13 1.412(3) .
C13 C14 1.395(3) .
C13 C18 1.509(3) .
C14 C15 1.383(4) .
C14 H14 0.9500 .
C15 C16 1.395(4) .
C15 C19 1.509(4) .
C16 C17 1.385(3) .
C16 H16 0.9500 .
C17 C20 1.507(3) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C26 1.404(3) .
C21 C22 1.410(3) .
C22 C23 1.394(3) .
C22 C27 1.501(3) .
C23 C24 1.389(4) .
C23 H23 0.9500 .
C24 C25 1.390(4) .
C24 C28 1.509(4) .
C25 C26 1.394(4) .
C25 H25 0.9500 .
C26 C29 1.504(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C35 1.519(4) .
C30 C36 1.528(4) .
C30 C37 1.545(4) .
C30 C31 1.566(3) .
C31 C32 1.391(3) .
C32 C33 1.430(3) .
C32 H32 0.9500 .
C33 C34 1.562(3) .
C34 C40 1.535(4) .
C34 C38 1.541(4) .
C34 C39 1.542(3) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C46 1.397(4) .
C41 C42 1.405(4) .
C42 C43 1.393(3) .
C42 C47 1.493(4) .
C43 C44 1.389(4) .
C43 H43 0.9500 .
C44 C45 1.383(5) .
C44 C48 1.512(4) .
C45 C46 1.400(4) .
C45 H45 0.9500 .
C46 C49 1.515(4) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 C55 1.398(3) .
C50 C51 1.403(3) .
C51 C52 1.397(3) .
C51 C56 1.502(4) .
C52 C53 1.384(4) .
C52 H52 0.9500 .
C53 C54 1.394(4) .
C53 C57 1.514(4) .
C54 C55 1.400(3) .
C54 H54 0.9500 .
C55 C58 1.503(3) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.511(5) .
C59 C59 1.519(6) 2_586
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 C61 1.520(5) .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
