# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2008

data_global

_journal_coden_Cambridge         222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'P. Power'
'Audra Betzer'
'Rolfe H. Herber'
'W. Alexander Merrill'
'Israel Nowik'
'Jochen Steiner'

_publ_contact_author_name        'Prof Philip Power'
_publ_contact_author_email       POWER@CHEM.UCDAVIS.EDU

_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
;

# Attachment 'Compound1.CIF'

data_snba2
_database_code_depnum_ccdc_archive 'CCDC 692606'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          379
_chemical_formula_moiety         'C54 H86 N4 Sn2'
_chemical_formula_sum            'C54 H86 N4 Sn2'
_chemical_formula_weight         1028.65

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.5303(8)
_cell_length_b                   26.4308(17)
_cell_length_c                   17.8070(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.771(2)
_cell_angle_gamma                90.00
_cell_volume                     5363.3(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    6382
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      31.0

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2152
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6982
_exptl_absorpt_correction_T_max  0.9094
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       '\w and \f'
_diffrn_detector_area_resol_mean 0
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            61636
_diffrn_reflns_av_R_equivalents  0.0716
_diffrn_reflns_av_sigmaI/netI    0.0576
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.39
_diffrn_reflns_theta_max         27.50
_reflns_number_total             12312
_reflns_number_gt                8693
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'SMART (Version 5.054) (Bruker, 2002)'
_computing_cell_refinement       'SAINT (7.16b) (Bruker, 2004)'
_computing_data_reduction        'SAINT (7.16b) (Bruker, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Diamond (3.0)'
_computing_publication_material  'Diamond (3.0)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.

220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 10.00 Ratio
222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 10.00 Ratio

The above two alerts are due to the highly librational hexane molecule.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0572P)^2^+1.3645P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12312
_refine_ls_number_parameters     576
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0425
_refine_ls_wR_factor_ref         0.1118
_refine_ls_wR_factor_gt          0.1013
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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 0.73895(2) 0.212022(9) 0.664186(14) 0.01781(7) Uani 1 1 d . . .
Sn2 Sn 0.90028(2) 0.127028(9) 0.788323(15) 0.02345(8) Uani 1 1 d . . .
N1 N 0.7458(3) 0.17846(12) 0.78422(17) 0.0192(7) Uani 1 1 d . . .
H1 H 0.695(4) 0.1580(16) 0.773(2) 0.024(11) Uiso 1 1 d . . .
N2 N 0.8299(3) 0.13712(12) 0.65950(18) 0.0196(7) Uani 1 1 d . . .
H2 H 0.772(4) 0.1202(17) 0.655(3) 0.033(13) Uiso 1 1 d . . .
N3 N 0.5695(3) 0.18000(12) 0.63702(18) 0.0196(7) Uani 1 1 d . . .
H3 H 0.575(4) 0.1495(17) 0.627(2) 0.031(12) Uiso 1 1 d . . .
N4 N 0.7871(4) 0.06353(12) 0.7832(2) 0.0315(9) Uani 1 1 d . . .
H4 H 0.724(3) 0.0708(13) 0.787(2) 0.007(10) Uiso 1 1 d . . .
C10 C 0.7284(3) 0.21104(13) 0.8464(2) 0.0175(7) Uani 1 1 d . . .
C11 C 0.8019(3) 0.25355(13) 0.8636(2) 0.0192(8) Uani 1 1 d . . .
C12 C 0.7758(3) 0.28683(14) 0.9203(2) 0.0239(8) Uani 1 1 d . . .
H12A H 0.8249 0.3153 0.9334 0.029 Uiso 1 1 calc R . .
C13 C 0.6813(4) 0.27914(14) 0.9571(2) 0.0252(8) Uani 1 1 d . . .
H13A H 0.6617 0.3036 0.9922 0.030 Uiso 1 1 calc R . .
C14 C 0.6145(3) 0.23574(15) 0.9434(2) 0.0252(8) Uani 1 1 d . . .
H14A H 0.5519 0.2298 0.9713 0.030 Uiso 1 1 calc R . .
C15 C 0.6376(3) 0.20065(14) 0.8891(2) 0.0220(8) Uani 1 1 d . . .
C20 C 0.8975(3) 0.12831(13) 0.5997(2) 0.0185(7) Uani 1 1 d . . .
C21 C 0.8574(3) 0.09416(13) 0.5399(2) 0.0218(8) Uani 1 1 d . . .
C22 C 0.9296(4) 0.08448(15) 0.4855(2) 0.0276(9) Uani 1 1 d . . .
H22A H 0.9044 0.0608 0.4462 0.033 Uiso 1 1 calc R . .
C23 C 1.0370(4) 0.10833(16) 0.4869(2) 0.0317(10) Uani 1 1 d . . .
H23A H 1.0850 0.1007 0.4495 0.038 Uiso 1 1 calc R . .
C24 C 1.0735(3) 0.14320(15) 0.5431(2) 0.0270(9) Uani 1 1 d . . .
H24A H 1.1461 0.1602 0.5432 0.032 Uiso 1 1 calc R . .
C25 C 1.0055(3) 0.15418(14) 0.6002(2) 0.0222(8) Uani 1 1 d . . .
C30 C 0.4759(3) 0.20740(13) 0.5961(2) 0.0183(7) Uani 1 1 d . . .
C31 C 0.4486(3) 0.25652(14) 0.6208(2) 0.0217(8) Uani 1 1 d . . .
C32 C 0.3624(3) 0.28485(15) 0.5755(2) 0.0279(9) Uani 1 1 d . . .
H32A H 0.3457 0.3181 0.5912 0.034 Uiso 1 1 calc R . .
C33 C 0.3011(3) 0.26623(16) 0.5089(2) 0.0295(9) Uani 1 1 d . . .
H33A H 0.2447 0.2867 0.4783 0.035 Uiso 1 1 calc R . .
C34 C 0.3226(3) 0.21745(15) 0.4871(2) 0.0261(9) Uani 1 1 d . . .
H34A H 0.2779 0.2041 0.4423 0.031 Uiso 1 1 calc R . .
C35 C 0.4081(3) 0.18712(14) 0.5290(2) 0.0216(8) Uani 1 1 d . . .
C40 C 0.7976(4) 0.01095(15) 0.7795(3) 0.0362(11) Uani 1 1 d . . .
C41 C 0.9000(4) -0.01209(16) 0.7593(3) 0.0369(11) Uani 1 1 d . . .
C42 C 0.9031(5) -0.06485(18) 0.7540(3) 0.0536(14) Uani 1 1 d . . .
H42A H 0.9722 -0.0806 0.7421 0.064 Uiso 1 1 calc R . .
C43 C 0.8111(5) -0.09435(19) 0.7651(4) 0.0658(18) Uani 1 1 d . . .
H43A H 0.8158 -0.1301 0.7608 0.079 Uiso 1 1 calc R . .
C44 C 0.7100(6) -0.07190(19) 0.7830(4) 0.0670(18) Uani 1 1 d . . .
H44A H 0.6456 -0.0927 0.7906 0.080 Uiso 1 1 calc R . .
C45 C 0.7008(5) -0.01927(18) 0.7901(3) 0.0531(14) Uani 1 1 d . . .
C110 C 0.9094(3) 0.26379(14) 0.8266(2) 0.0230(8) Uani 1 1 d . . .
H11A H 0.9086 0.2390 0.7841 0.028 Uiso 1 1 calc R . .
C111 C 0.9098(4) 0.31702(16) 0.7925(2) 0.0336(10) Uani 1 1 d . . .
H11B H 0.8406 0.3212 0.7535 0.050 Uiso 1 1 calc R . .
H11C H 0.9810 0.3216 0.7695 0.050 Uiso 1 1 calc R . .
H11D H 0.9080 0.3422 0.8326 0.050 Uiso 1 1 calc R . .
C112 C 1.0227(4) 0.25503(17) 0.8824(2) 0.0334(10) Uani 1 1 d . . .
H11E H 1.0236 0.2204 0.9020 0.050 Uiso 1 1 calc R . .
H11F H 1.0265 0.2790 0.9247 0.050 Uiso 1 1 calc R . .
H11G H 1.0905 0.2601 0.8561 0.050 Uiso 1 1 calc R . .
C150 C 0.5658(4) 0.15175(15) 0.8785(2) 0.0289(9) Uani 1 1 d . . .
H15A H 0.6136 0.1264 0.8550 0.035 Uiso 1 1 calc R . .
C151 C 0.5406(5) 0.12913(17) 0.9544(3) 0.0456(12) Uani 1 1 d . . .
H15B H 0.5040 0.0958 0.9451 0.068 Uiso 1 1 calc R . .
H15C H 0.4875 0.1516 0.9768 0.068 Uiso 1 1 calc R . .
H15D H 0.6144 0.1256 0.9895 0.068 Uiso 1 1 calc R . .
C152 C 0.4511(4) 0.15849(18) 0.8246(3) 0.0447(12) Uani 1 1 d . . .
H15E H 0.4679 0.1695 0.7748 0.067 Uiso 1 1 calc R . .
H15F H 0.4030 0.1841 0.8451 0.067 Uiso 1 1 calc R . .
H15G H 0.4087 0.1263 0.8192 0.067 Uiso 1 1 calc R . .
C210 C 0.7389(4) 0.06852(15) 0.5333(2) 0.0274(9) Uani 1 1 d . . .
H21A H 0.6867 0.0909 0.5587 0.033 Uiso 1 1 calc R . .
C211 C 0.6798(4) 0.06140(17) 0.4505(2) 0.0369(11) Uani 1 1 d . . .
H21B H 0.6803 0.0936 0.4232 0.055 Uiso 1 1 calc R . .
H21C H 0.5986 0.0502 0.4497 0.055 Uiso 1 1 calc R . .
H21D H 0.7229 0.0359 0.4258 0.055 Uiso 1 1 calc R . .
C212 C 0.7459(5) 0.01749(17) 0.5742(3) 0.0455(12) Uani 1 1 d . . .
H21E H 0.7798 0.0223 0.6277 0.068 Uiso 1 1 calc R . .
H21F H 0.7955 -0.0056 0.5501 0.068 Uiso 1 1 calc R . .
H21G H 0.6670 0.0031 0.5711 0.068 Uiso 1 1 calc R . .
C250 C 1.0512(3) 0.19280(15) 0.6593(2) 0.0278(9) Uani 1 1 d . . .
H25A H 0.9941 0.1949 0.6962 0.033 Uiso 1 1 calc R . .
C251 C 1.1710(4) 0.1776(2) 0.7042(3) 0.0495(13) Uani 1 1 d . . .
H25B H 1.1669 0.1428 0.7227 0.074 Uiso 1 1 calc R . .
H25C H 1.1911 0.2005 0.7476 0.074 Uiso 1 1 calc R . .
H25D H 1.2313 0.1798 0.6711 0.074 Uiso 1 1 calc R . .
C252 C 1.0585(5) 0.24565(16) 0.6237(3) 0.0455(13) Uani 1 1 d . . .
H25E H 1.0803 0.2707 0.6640 0.068 Uiso 1 1 calc R . .
H25F H 0.9820 0.2546 0.5947 0.068 Uiso 1 1 calc R . .
H25G H 1.1178 0.2453 0.5897 0.068 Uiso 1 1 calc R . .
C310 C 0.5059(3) 0.27897(14) 0.6959(2) 0.0276(9) Uani 1 1 d . . .
H31A H 0.5636 0.2536 0.7211 0.033 Uiso 1 1 calc R . .
C311 C 0.4156(4) 0.28849(18) 0.7489(3) 0.0451(12) Uani 1 1 d . . .
H31B H 0.3713 0.2574 0.7540 0.068 Uiso 1 1 calc R . .
H31C H 0.3616 0.3153 0.7276 0.068 Uiso 1 1 calc R . .
H31D H 0.4560 0.2989 0.7989 0.068 Uiso 1 1 calc R . .
C312 C 0.5739(4) 0.32764(16) 0.6842(3) 0.0442(12) Uani 1 1 d . . .
H31E H 0.6098 0.3410 0.7337 0.066 Uiso 1 1 calc R . .
H31F H 0.5199 0.3529 0.6581 0.066 Uiso 1 1 calc R . .
H31G H 0.6354 0.3201 0.6535 0.066 Uiso 1 1 calc R . .
C350 C 0.4306(3) 0.13314(14) 0.5044(2) 0.0248(8) Uani 1 1 d . . .
H35A H 0.5176 0.1289 0.5087 0.030 Uiso 1 1 calc R . .
C351 C 0.3871(4) 0.09424(15) 0.5584(2) 0.0282(9) Uani 1 1 d . . .
H35B H 0.4156 0.1038 0.6112 0.042 Uiso 1 1 calc R . .
H35C H 0.4170 0.0606 0.5483 0.042 Uiso 1 1 calc R . .
H35D H 0.3011 0.0937 0.5500 0.042 Uiso 1 1 calc R . .
C352 C 0.3784(4) 0.12101(17) 0.4226(2) 0.0354(10) Uani 1 1 d . . .
H35E H 0.4057 0.1460 0.3885 0.053 Uiso 1 1 calc R . .
H35F H 0.2926 0.1221 0.4172 0.053 Uiso 1 1 calc R . .
H35G H 0.4033 0.0871 0.4095 0.053 Uiso 1 1 calc R . .
C410 C 1.0041(4) 0.01880(17) 0.7427(3) 0.0393(11) Uani 1 1 d . . .
H41A H 0.9733 0.0532 0.7269 0.047 Uiso 1 1 calc R . .
C411 C 1.0659(6) -0.0014(2) 0.6773(4) 0.0677(18) Uani 1 1 d . . .
H41B H 1.0077 -0.0063 0.6317 0.102 Uiso 1 1 calc R . .
H41C H 1.1040 -0.0337 0.6924 0.102 Uiso 1 1 calc R . .
H41D H 1.1250 0.0231 0.6665 0.102 Uiso 1 1 calc R . .
C412 C 1.0942(5) 0.0261(2) 0.8132(3) 0.0591(15) Uani 1 1 d . . .
H41E H 1.0557 0.0400 0.8541 0.089 Uiso 1 1 calc R . .
H41F H 1.1550 0.0496 0.8019 0.089 Uiso 1 1 calc R . .
H41G H 1.1300 -0.0066 0.8291 0.089 Uiso 1 1 calc R . .
C450 C 0.5825(5) 0.00521(18) 0.8030(4) 0.0556(15) Uani 1 1 d . . .
H45A H 0.6018 0.0345 0.8383 0.067 Uiso 1 1 calc R . .
C451 C 0.5030(6) -0.0300(2) 0.8391(5) 0.101(3) Uani 1 1 d . . .
H45B H 0.5441 -0.0420 0.8881 0.152 Uiso 1 1 calc R . .
H45C H 0.4816 -0.0590 0.8055 0.152 Uiso 1 1 calc R . .
H45D H 0.4318 -0.0118 0.8470 0.152 Uiso 1 1 calc R . .
C452 C 0.5165(6) 0.0263(2) 0.7280(4) 0.0731(19) Uani 1 1 d . . .
H45E H 0.4456 0.0440 0.7378 0.110 Uiso 1 1 calc R . .
H45F H 0.4944 -0.0016 0.6924 0.110 Uiso 1 1 calc R . .
H45G H 0.5673 0.0500 0.7058 0.110 Uiso 1 1 calc R . .
C100 C 1.2452(13) 0.0031(4) 1.0094(6) 0.190(6) Uani 1 1 d . . .
H10A H 1.3214 -0.0023 0.9927 0.285 Uiso 1 1 calc R . .
H10B H 1.1842 -0.0151 0.9754 0.285 Uiso 1 1 calc R . .
H10C H 1.2481 -0.0096 1.0614 0.285 Uiso 1 1 calc R . .
C101 C 1.2148(9) 0.0634(4) 1.0072(6) 0.125(3) Uani 1 1 d . . .
H10D H 1.2688 0.0812 1.0471 0.150 Uiso 1 1 calc R . .
H10E H 1.2255 0.0777 0.9573 0.150 Uiso 1 1 calc R . .
C102 C 1.0796(10) 0.0716(3) 1.0211(5) 0.117(4) Uani 1 1 d . . .
H10F H 1.0264 0.0515 0.9836 0.140 Uiso 1 1 calc R . .
H10G H 1.0707 0.0594 1.0725 0.140 Uiso 1 1 calc R . .
C103 C 1.0463(8) 0.1255(3) 1.0139(5) 0.111(3) Uani 1 1 d . B .
H10H H 1.0704 0.1389 0.9667 0.133 Uiso 1 1 calc R . .
H10I H 1.0910 0.1442 1.0571 0.133 Uiso 1 1 calc R . .
C104 C 0.9122(7) 0.1367(3) 1.0120(4) 0.095(3) Uani 1 1 d . . .
H10J H 0.8961 0.1726 0.9983 0.114 Uiso 1 1 calc R A 1
H10K H 0.8657 0.1154 0.9727 0.114 Uiso 1 1 calc R A 1
C99 C 0.8783(7) 0.1268(3) 1.0830(4) 0.064(2) Uani 0.75 1 d P B 1
H99L H 0.7937 0.1323 1.0800 0.096 Uiso 0.75 1 calc PR B 1
H99M H 0.9206 0.1495 1.1213 0.096 Uiso 0.75 1 calc PR B 1
H99N H 0.8970 0.0916 1.0974 0.096 Uiso 0.75 1 calc PR B 1
C99A C 0.8528(10) 0.1163(5) 0.9468(4) 0.031(4) Uiso 0.25 1 d PR B 2
H99A H 0.7686 0.1227 0.9444 0.046 Uiso 0.25 1 calc PR B 2
H99B H 0.8668 0.0797 0.9465 0.046 Uiso 0.25 1 calc PR B 2
H99C H 0.8805 0.1317 0.9027 0.046 Uiso 0.25 1 calc PR B 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.01600(13) 0.01774(12) 0.01999(13) -0.00163(10) 0.00374(9) -0.00197(9)
Sn2 0.02572(15) 0.02042(14) 0.02438(15) -0.00113(10) 0.00432(11) 0.00431(10)
N1 0.0215(17) 0.0187(16) 0.0188(16) -0.0035(13) 0.0071(13) -0.0037(13)
N2 0.0149(16) 0.0212(16) 0.0238(17) -0.0031(13) 0.0067(13) -0.0034(13)
N3 0.0182(16) 0.0151(16) 0.0256(17) 0.0001(13) 0.0033(13) -0.0015(12)
N4 0.049(3) 0.0158(17) 0.036(2) -0.0003(14) 0.0238(19) 0.0061(16)
C10 0.0173(18) 0.0181(17) 0.0163(17) 0.0007(14) 0.0003(13) 0.0021(13)
C11 0.0184(19) 0.0197(18) 0.0191(19) -0.0017(14) 0.0017(15) 0.0030(14)
C12 0.029(2) 0.0183(18) 0.023(2) -0.0027(15) 0.0006(16) -0.0006(15)
C13 0.032(2) 0.025(2) 0.0184(19) -0.0057(15) 0.0029(16) 0.0047(16)
C14 0.023(2) 0.031(2) 0.023(2) -0.0027(16) 0.0096(16) 0.0058(16)
C15 0.022(2) 0.0216(18) 0.023(2) -0.0008(15) 0.0036(15) 0.0033(14)
C20 0.0190(19) 0.0155(17) 0.0216(19) 0.0018(14) 0.0052(15) 0.0024(13)
C21 0.024(2) 0.0162(17) 0.026(2) -0.0006(15) 0.0051(16) 0.0069(14)
C22 0.031(2) 0.029(2) 0.024(2) -0.0045(16) 0.0091(17) 0.0065(17)
C23 0.032(2) 0.036(2) 0.030(2) 0.0034(18) 0.0171(19) 0.0142(18)
C24 0.018(2) 0.030(2) 0.036(2) 0.0045(18) 0.0122(17) 0.0024(16)
C25 0.021(2) 0.0224(19) 0.024(2) 0.0020(15) 0.0062(16) 0.0043(15)
C30 0.0124(17) 0.0210(18) 0.0223(18) 0.0045(15) 0.0057(14) -0.0009(13)
C31 0.0167(19) 0.0230(19) 0.026(2) 0.0002(15) 0.0065(15) -0.0027(14)
C32 0.021(2) 0.024(2) 0.041(2) 0.0051(18) 0.0089(17) 0.0034(15)
C33 0.018(2) 0.033(2) 0.036(2) 0.0128(18) 0.0001(17) 0.0030(16)
C34 0.0155(19) 0.036(2) 0.027(2) 0.0065(17) 0.0034(16) -0.0072(16)
C35 0.0155(18) 0.026(2) 0.024(2) 0.0045(15) 0.0067(15) -0.0060(14)
C40 0.050(3) 0.022(2) 0.038(3) -0.0006(18) 0.008(2) 0.0048(19)
C41 0.049(3) 0.024(2) 0.037(3) -0.0072(18) 0.005(2) 0.0063(19)
C42 0.054(3) 0.033(3) 0.071(4) -0.007(3) 0.002(3) 0.011(2)
C43 0.066(4) 0.022(3) 0.105(5) -0.006(3) 0.000(4) 0.008(2)
C44 0.070(4) 0.026(3) 0.103(5) -0.003(3) 0.009(4) -0.002(3)
C45 0.064(4) 0.026(2) 0.070(4) 0.002(2) 0.014(3) -0.004(2)
C110 0.024(2) 0.0202(18) 0.025(2) -0.0077(15) 0.0035(16) -0.0030(15)
C111 0.037(3) 0.034(2) 0.032(2) 0.0011(19) 0.0104(19) -0.0067(18)
C112 0.025(2) 0.039(2) 0.035(2) -0.0106(19) 0.0001(19) -0.0017(18)
C150 0.031(2) 0.026(2) 0.033(2) -0.0033(17) 0.0154(18) -0.0006(17)
C151 0.059(3) 0.036(3) 0.048(3) 0.004(2) 0.025(3) -0.007(2)
C152 0.037(3) 0.046(3) 0.049(3) 0.000(2) -0.001(2) -0.013(2)
C210 0.031(2) 0.025(2) 0.026(2) -0.0085(16) 0.0070(17) -0.0026(16)
C211 0.033(2) 0.041(3) 0.036(3) -0.016(2) 0.001(2) -0.0028(19)
C212 0.059(3) 0.036(3) 0.041(3) 0.000(2) 0.004(2) -0.017(2)
C250 0.017(2) 0.034(2) 0.034(2) -0.0065(18) 0.0090(17) -0.0073(16)
C251 0.020(2) 0.076(4) 0.052(3) -0.021(3) 0.002(2) -0.003(2)
C252 0.051(3) 0.030(2) 0.064(3) -0.012(2) 0.035(3) -0.016(2)
C310 0.023(2) 0.022(2) 0.037(2) -0.0057(17) 0.0031(17) 0.0034(15)
C311 0.048(3) 0.045(3) 0.044(3) -0.010(2) 0.013(2) 0.014(2)
C312 0.036(3) 0.025(2) 0.068(3) -0.010(2) -0.002(2) -0.0003(19)
C350 0.0181(19) 0.032(2) 0.023(2) -0.0042(16) 0.0008(15) -0.0031(15)
C351 0.029(2) 0.025(2) 0.030(2) 0.0009(17) 0.0026(17) -0.0034(16)
C352 0.038(3) 0.037(2) 0.030(2) -0.0011(19) 0.0009(19) -0.0094(19)
C410 0.053(3) 0.032(2) 0.033(3) -0.0045(19) 0.009(2) 0.014(2)
C411 0.078(5) 0.062(4) 0.069(4) -0.013(3) 0.031(3) 0.028(3)
C412 0.060(4) 0.055(3) 0.063(4) 0.004(3) 0.010(3) 0.014(3)
C450 0.068(4) 0.025(2) 0.078(4) -0.006(2) 0.027(3) -0.009(2)
C451 0.074(5) 0.053(4) 0.188(9) 0.000(5) 0.058(5) -0.015(3)
C452 0.062(4) 0.059(4) 0.096(5) -0.008(4) 0.004(4) 0.015(3)
C100 0.311(18) 0.129(10) 0.123(10) -0.018(7) 0.009(10) 0.077(11)
C101 0.119(8) 0.145(9) 0.107(7) -0.021(6) 0.008(6) 0.030(7)
C102 0.203(11) 0.065(5) 0.074(5) 0.001(4) -0.008(6) -0.019(6)
C103 0.120(7) 0.075(5) 0.117(7) 0.029(5) -0.049(6) -0.020(4)
C104 0.082(6) 0.131(7) 0.070(5) -0.019(5) 0.002(4) -0.029(5)
C99 0.077(6) 0.058(5) 0.060(5) -0.012(4) 0.020(4) -0.010(4)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.117(3) . ?
Sn1 N2 2.248(3) . ?
Sn1 N1 2.304(3) . ?
Sn2 N4 2.120(4) . ?
Sn2 N1 2.233(3) . ?
Sn2 N2 2.329(3) . ?
N1 C10 1.441(5) . ?
N1 H1 0.80(4) . ?
N2 C20 1.433(5) . ?
N2 H2 0.80(5) . ?
N3 C30 1.408(4) . ?
N3 H3 0.83(4) . ?
N4 C40 1.397(5) . ?
N4 H4 0.77(4) . ?
C10 C15 1.412(5) . ?
C10 C11 1.413(5) . ?
C11 C12 1.406(5) . ?
C11 C110 1.513(5) . ?
C12 C13 1.370(6) . ?
C12 H12A 0.9500 . ?
C13 C14 1.383(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.393(5) . ?
C14 H14A 0.9500 . ?
C15 C150 1.531(5) . ?
C20 C21 1.418(5) . ?
C20 C25 1.419(5) . ?
C21 C22 1.393(5) . ?
C21 C210 1.514(5) . ?
C22 C23 1.387(6) . ?
C22 H22A 0.9500 . ?
C23 C24 1.378(6) . ?
C23 H23A 0.9500 . ?
C24 C25 1.407(5) . ?
C24 H24A 0.9500 . ?
C25 C250 1.502(5) . ?
C30 C31 1.421(5) . ?
C30 C35 1.428(5) . ?
C31 C32 1.398(5) . ?
C31 C310 1.520(5) . ?
C32 C33 1.376(6) . ?
C32 H32A 0.9500 . ?
C33 C34 1.380(6) . ?
C33 H33A 0.9500 . ?
C34 C35 1.395(5) . ?
C34 H34A 0.9500 . ?
C35 C350 1.526(5) . ?
C40 C45 1.409(7) . ?
C40 C41 1.422(6) . ?
C41 C42 1.399(6) . ?
C41 C410 1.518(7) . ?
C42 C43 1.355(8) . ?
C42 H42A 0.9500 . ?
C43 C44 1.388(8) . ?
C43 H43A 0.9500 . ?
C44 C45 1.402(7) . ?
C44 H44A 0.9500 . ?
C45 C450 1.557(8) . ?
C110 C111 1.533(5) . ?
C110 C112 1.534(5) . ?
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 1.521(6) . ?
C150 C151 1.546(6) . ?
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 C212 1.530(6) . ?
C210 C211 1.538(6) . ?
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 C251 1.540(6) . ?
C250 C252 1.542(6) . ?
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 C311 1.528(6) . ?
C310 C312 1.537(6) . ?
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 C352 1.523(5) . ?
C350 C351 1.543(5) . ?
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 . ?
C410 C412 1.515(7) . ?
C410 C411 1.549(7) . ?
C410 H41A 1.0000 . ?
C411 H41B 0.9800 . ?
C411 H41C 0.9800 . ?
C411 H41D 0.9800 . ?
C412 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
C412 H41G 0.9800 . ?
C450 C451 1.517(8) . ?
C450 C452 1.538(8) . ?
C450 H45A 1.0000 . ?
C451 H45B 0.9800 . ?
C451 H45C 0.9800 . ?
C451 H45D 0.9800 . ?
C452 H45E 0.9800 . ?
C452 H45F 0.9800 . ?
C452 H45G 0.9800 . ?
C100 C101 1.632(12) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.631(12) . ?
C101 H10D 0.9900 . ?
C101 H10E 0.9900 . ?
C102 C103 1.476(10) . ?
C102 H10F 0.9900 . ?
C102 H10G 0.9900 . ?
C103 C104 1.569(11) . ?
C103 H10H 0.9900 . ?
C103 H10I 0.9900 . ?
C104 C99A 1.366(10) . ?
C104 C99 1.406(10) . ?
C104 H10J 0.9900 . ?
C104 H10K 0.9900 . ?
C99 H99L 0.9800 . ?
C99 H99M 0.9800 . ?
C99 H99N 0.9800 . ?
C99A H99A 0.9800 . ?
C99A H99B 0.9800 . ?
C99A H99C 0.9800 . ?

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 93.37(12) . . ?
N3 Sn1 N1 87.58(12) . . ?
N2 Sn1 N1 75.24(11) . . ?
N4 Sn2 N1 89.86(13) . . ?
N4 Sn2 N2 85.89(13) . . ?
N1 Sn2 N2 75.02(11) . . ?
C10 N1 Sn2 122.9(2) . . ?
C10 N1 Sn1 119.6(2) . . ?
Sn2 N1 Sn1 100.30(12) . . ?
C10 N1 H1 114(3) . . ?
Sn2 N1 H1 99(3) . . ?
Sn1 N1 H1 97(3) . . ?
C20 N2 Sn1 118.7(2) . . ?
C20 N2 Sn2 124.5(2) . . ?
Sn1 N2 Sn2 99.14(12) . . ?
C20 N2 H2 112(3) . . ?
Sn1 N2 H2 96(3) . . ?
Sn2 N2 H2 101(3) . . ?
C30 N3 Sn1 121.4(2) . . ?
C30 N3 H3 118(3) . . ?
Sn1 N3 H3 110(3) . . ?
C40 N4 Sn2 137.1(3) . . ?
C40 N4 H4 110(3) . . ?
Sn2 N4 H4 113(3) . . ?
C15 C10 C11 120.5(3) . . ?
C15 C10 N1 120.0(3) . . ?
C11 C10 N1 119.5(3) . . ?
C12 C11 C10 117.7(3) . . ?
C12 C11 C110 118.7(3) . . ?
C10 C11 C110 123.5(3) . . ?
C13 C12 C11 121.6(3) . . ?
C13 C12 H12A 119.2 . . ?
C11 C12 H12A 119.2 . . ?
C12 C13 C14 120.0(4) . . ?
C12 C13 H13A 120.0 . . ?
C14 C13 H13A 120.0 . . ?
C13 C14 C15 121.0(4) . . ?
C13 C14 H14A 119.5 . . ?
C15 C14 H14A 119.5 . . ?
C14 C15 C10 118.7(3) . . ?
C14 C15 C150 119.4(4) . . ?
C10 C15 C150 121.9(3) . . ?
C21 C20 C25 119.9(3) . . ?
C21 C20 N2 120.6(3) . . ?
C25 C20 N2 119.5(3) . . ?
C22 C21 C20 118.5(4) . . ?
C22 C21 C210 119.4(3) . . ?
C20 C21 C210 122.1(3) . . ?
C23 C22 C21 122.0(4) . . ?
C23 C22 H22A 119.0 . . ?
C21 C22 H22A 119.0 . . ?
C24 C23 C22 119.3(4) . . ?
C24 C23 H23A 120.4 . . ?
C22 C23 H23A 120.4 . . ?
C23 C24 C25 121.5(4) . . ?
C23 C24 H24A 119.3 . . ?
C25 C24 H24A 119.3 . . ?
C24 C25 C20 118.7(4) . . ?
C24 C25 C250 118.2(3) . . ?
C20 C25 C250 123.2(3) . . ?
N3 C30 C31 119.8(3) . . ?
N3 C30 C35 121.3(3) . . ?
C31 C30 C35 118.9(3) . . ?
C32 C31 C30 118.8(3) . . ?
C32 C31 C310 118.3(3) . . ?
C30 C31 C310 122.8(3) . . ?
C33 C32 C31 122.2(4) . . ?
C33 C32 H32A 118.9 . . ?
C31 C32 H32A 118.9 . . ?
C32 C33 C34 119.0(4) . . ?
C32 C33 H33A 120.5 . . ?
C34 C33 H33A 120.5 . . ?
C33 C34 C35 122.0(4) . . ?
C33 C34 H34A 119.0 . . ?
C35 C34 H34A 119.0 . . ?
C34 C35 C30 118.9(4) . . ?
C34 C35 C350 121.4(3) . . ?
C30 C35 C350 119.7(3) . . ?
N4 C40 C45 118.7(4) . . ?
N4 C40 C41 121.3(4) . . ?
C45 C40 C41 119.8(4) . . ?
C42 C41 C40 118.4(5) . . ?
C42 C41 C410 119.6(4) . . ?
C40 C41 C410 122.0(4) . . ?
C43 C42 C41 122.3(5) . . ?
C43 C42 H42A 118.8 . . ?
C41 C42 H42A 118.8 . . ?
C42 C43 C44 119.4(5) . . ?
C42 C43 H43A 120.3 . . ?
C44 C43 H43A 120.3 . . ?
C43 C44 C45 121.5(6) . . ?
C43 C44 H44A 119.2 . . ?
C45 C44 H44A 119.2 . . ?
C44 C45 C40 118.5(5) . . ?
C44 C45 C450 120.4(5) . . ?
C40 C45 C450 120.9(4) . . ?
C11 C110 C111 112.9(3) . . ?
C11 C110 C112 111.4(3) . . ?
C111 C110 C112 110.0(3) . . ?
C11 C110 H11A 107.4 . . ?
C111 C110 H11A 107.4 . . ?
C112 C110 H11A 107.4 . . ?
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 . . ?
C152 C150 C15 112.4(3) . . ?
C152 C150 C151 109.6(4) . . ?
C15 C150 C151 112.9(3) . . ?
C152 C150 H15A 107.2 . . ?
C15 C150 H15A 107.2 . . ?
C151 C150 H15A 107.2 . . ?
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 C212 112.1(3) . . ?
C21 C210 C211 113.1(3) . . ?
C212 C210 C211 109.4(3) . . ?
C21 C210 H21A 107.3 . . ?
C212 C210 H21A 107.3 . . ?
C211 C210 H21A 107.3 . . ?
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 C251 112.2(3) . . ?
C25 C250 C252 111.3(4) . . ?
C251 C250 C252 110.5(4) . . ?
C25 C250 H25A 107.6 . . ?
C251 C250 H25A 107.6 . . ?
C252 C250 H25A 107.6 . . ?
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 C311 111.2(3) . . ?
C31 C310 C312 111.7(4) . . ?
C311 C310 C312 110.8(4) . . ?
C31 C310 H31A 107.6 . . ?
C311 C310 H31A 107.6 . . ?
C312 C310 H31A 107.6 . . ?
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 . . ?
C352 C350 C35 114.3(3) . . ?
C352 C350 C351 109.7(3) . . ?
C35 C350 C351 111.0(3) . . ?
C352 C350 H35A 107.2 . . ?
C35 C350 H35A 107.2 . . ?
C351 C350 H35A 107.2 . . ?
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 . . ?
C412 C410 C41 111.7(4) . . ?
C412 C410 C411 109.3(5) . . ?
C41 C410 C411 115.4(4) . . ?
C412 C410 H41A 106.6 . . ?
C41 C410 H41A 106.6 . . ?
C411 C410 H41A 106.6 . . ?
C410 C411 H41B 109.5 . . ?
C410 C411 H41C 109.5 . . ?
H41B C411 H41C 109.5 . . ?
C410 C411 H41D 109.5 . . ?
H41B C411 H41D 109.5 . . ?
H41C C411 H41D 109.5 . . ?
C410 C412 H41E 109.5 . . ?
C410 C412 H41F 109.5 . . ?
H41E C412 H41F 109.5 . . ?
C410 C412 H41G 109.5 . . ?
H41E C412 H41G 109.5 . . ?
H41F C412 H41G 109.5 . . ?
C451 C450 C452 109.8(6) . . ?
C451 C450 C45 114.0(5) . . ?
C452 C450 C45 110.5(5) . . ?
C451 C450 H45A 107.4 . . ?
C452 C450 H45A 107.4 . . ?
C45 C450 H45A 107.4 . . ?
C450 C451 H45B 109.5 . . ?
C450 C451 H45C 109.5 . . ?
H45B C451 H45C 109.5 . . ?
C450 C451 H45D 109.5 . . ?
H45B C451 H45D 109.5 . . ?
H45C C451 H45D 109.5 . . ?
C450 C452 H45E 109.5 . . ?
C450 C452 H45F 109.5 . . ?
H45E C452 H45F 109.5 . . ?
C450 C452 H45G 109.5 . . ?
H45E C452 H45G 109.5 . . ?
H45F C452 H45G 109.5 . . ?
C101 C100 H10A 109.5 . . ?
C101 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C101 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 C100 109.4(9) . . ?
C102 C101 H10D 109.8 . . ?
C100 C101 H10D 109.8 . . ?
C102 C101 H10E 109.8 . . ?
C100 C101 H10E 109.8 . . ?
H10D C101 H10E 108.2 . . ?
C103 C102 C101 110.9(8) . . ?
C103 C102 H10F 109.5 . . ?
C101 C102 H10F 109.5 . . ?
C103 C102 H10G 109.5 . . ?
C101 C102 H10G 109.5 . . ?
H10F C102 H10G 108.0 . . ?
C102 C103 C104 115.2(8) . . ?
C102 C103 H10H 108.5 . . ?
C104 C103 H10H 108.5 . . ?
C102 C103 H10I 108.5 . . ?
C104 C103 H10I 108.5 . . ?
H10H C103 H10I 107.5 . . ?
C99A C104 C99 121.2(8) . . ?
C99A C104 C103 108.0(8) . . ?
C99 C104 C103 110.7(7) . . ?
C99A C104 H10J 96.8 . . ?
C99 C104 H10J 109.5 . . ?
C103 C104 H10J 109.5 . . ?
C99 C104 H10K 109.5 . . ?
C103 C104 H10K 109.5 . . ?
H10J C104 H10K 108.1 . . ?
C104 C99 H99L 109.5 . . ?
C104 C99 H99M 109.5 . . ?
C104 C99 H99N 109.5 . . ?
C104 C99A H99A 109.5 . . ?
C104 C99A H99B 109.5 . . ?
H99A C99A H99B 109.5 . . ?
C104 C99A H99C 109.5 . . ?
H99A C99A H99C 109.5 . . ?
H99B C99A H99C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.192
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.116

# Attachment 'Compound2.CIF'

data_snba1
_database_code_depnum_ccdc_archive 'CCDC 692607'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          399
_chemical_formula_moiety         'C36 H54 Cl N3 Sn2'
_chemical_formula_sum            'C36 H54 Cl N3 Sn2'
_chemical_formula_weight         801.65

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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'

_cell_length_a                   12.9777(5)
_cell_length_b                   14.6393(5)
_cell_length_c                   19.3383(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.017(2)
_cell_angle_gamma                90.00
_cell_volume                     3638.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9230
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      31.0

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.38
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1632
_exptl_absorpt_coefficient_mu    1.474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_T_max  0.624
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       '\w and \f'
_diffrn_detector_area_resol_mean 0
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            48673
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0126
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.75
_diffrn_reflns_theta_max         27.50
_reflns_number_total             8365
_reflns_number_gt                7728
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'SMART (Version 5.054) (Bruker, 2002)'
_computing_cell_refinement       'SAINT (7.16b) (Bruker, 2004)'
_computing_data_reduction        'SAINT (7.16b) (Bruker, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Diamond (3.0)'
_computing_publication_material  'Diamond (3.0)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0235P)^2^+2.1587P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8365
_refine_ls_number_parameters     403
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0177
_refine_ls_wR_factor_ref         0.0464
_refine_ls_wR_factor_gt          0.0452
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sn1 0.01772(5) 0.01653(5) 0.01409(5) -0.00078(3) 0.00273(4) -0.00207(4)
Sn2 0.01614(5) 0.01601(5) 0.01797(6) -0.00107(4) 0.00339(4) -0.00127(3)
Cl1 0.02428(19) 0.0327(2) 0.02101(18) -0.00865(16) 0.00257(15) -0.00036(16)
N1 0.0170(6) 0.0199(6) 0.0132(6) -0.0010(5) 0.0032(5) 0.0010(5)
N2 0.0160(6) 0.0193(6) 0.0150(6) 0.0001(5) 0.0031(5) 0.0004(5)
N3 0.0242(7) 0.0177(6) 0.0174(6) -0.0027(5) 0.0025(5) -0.0062(5)
C10 0.0155(7) 0.0159(7) 0.0195(7) -0.0018(5) 0.0043(5) 0.0001(5)
C11 0.0193(7) 0.0167(7) 0.0200(7) -0.0025(6) 0.0028(6) 0.0009(6)
C12 0.0185(7) 0.0234(8) 0.0275(8) -0.0030(6) 0.0009(6) 0.0018(6)
C13 0.0188(7) 0.0258(8) 0.0303(9) -0.0034(7) 0.0079(6) 0.0013(6)
C14 0.0227(8) 0.0225(8) 0.0218(8) -0.0028(6) 0.0084(6) 0.0004(6)
C15 0.0185(7) 0.0168(7) 0.0191(7) -0.0014(6) 0.0038(6) -0.0001(5)
C20 0.0158(7) 0.0176(7) 0.0205(7) 0.0024(6) 0.0037(6) 0.0005(5)
C21 0.0182(7) 0.0193(7) 0.0215(7) 0.0033(6) 0.0034(6) 0.0006(6)
C22 0.0226(8) 0.0392(10) 0.0230(8) 0.0100(7) 0.0011(7) 0.0063(7)
C23 0.0206(9) 0.0616(13) 0.0320(10) 0.0150(9) 0.0040(7) 0.0154(8)
C24 0.0226(9) 0.0532(12) 0.0299(10) 0.0115(8) 0.0106(7) 0.0139(8)
C25 0.0210(8) 0.0274(8) 0.0217(8) 0.0057(6) 0.0063(6) 0.0054(6)
C30 0.0168(7) 0.0173(7) 0.0169(7) 0.0011(5) 0.0039(5) 0.0029(5)
C31 0.0166(7) 0.0194(7) 0.0197(7) -0.0003(6) 0.0035(6) 0.0019(6)
C32 0.0207(7) 0.0204(7) 0.0266(8) 0.0014(6) 0.0063(6) -0.0017(6)
C33 0.0315(9) 0.0228(8) 0.0250(8) 0.0051(6) 0.0113(7) 0.0002(7)
C34 0.0304(8) 0.0255(8) 0.0166(7) 0.0019(6) 0.0058(6) 0.0028(7)
C35 0.0189(7) 0.0203(7) 0.0178(7) -0.0007(6) 0.0039(6) 0.0030(6)
C110 0.0214(7) 0.0227(8) 0.0189(7) -0.0019(6) 0.0003(6) 0.0041(6)
C111 0.0360(9) 0.0216(8) 0.0218(8) 0.0034(6) 0.0014(7) 0.0042(7)
C112 0.0303(9) 0.0361(10) 0.0233(8) -0.0030(7) -0.0041(7) 0.0075(7)
C150 0.0193(7) 0.0268(8) 0.0164(7) -0.0021(6) 0.0045(6) -0.0005(6)
C151 0.0255(8) 0.0312(9) 0.0265(8) -0.0089(7) 0.0068(7) -0.0052(7)
C152 0.0274(8) 0.0397(10) 0.0191(8) 0.0024(7) 0.0028(6) -0.0032(7)
C210 0.0196(7) 0.0204(7) 0.0173(7) 0.0009(6) 0.0025(6) -0.0004(6)
C211 0.0412(10) 0.0223(8) 0.0273(9) 0.0013(7) 0.0134(8) -0.0069(7)
C212 0.0280(8) 0.0257(8) 0.0272(9) -0.0045(7) 0.0026(7) -0.0033(7)
C250 0.0207(8) 0.0329(9) 0.0203(8) 0.0057(7) 0.0075(6) 0.0075(7)
C251 0.0263(9) 0.0605(13) 0.0278(9) 0.0125(9) 0.0096(7) 0.0042(9)
C252 0.0453(11) 0.0309(9) 0.0286(9) 0.0002(7) 0.0112(8) 0.0069(8)
C310 0.0200(7) 0.0208(7) 0.0214(8) 0.0005(6) -0.0002(6) -0.0035(6)
C311 0.0274(9) 0.0322(10) 0.0373(10) 0.0007(8) -0.0080(8) 0.0040(7)
C312 0.0276(9) 0.0312(9) 0.0263(9) -0.0011(7) 0.0033(7) -0.0071(7)
C350 0.0228(8) 0.0228(8) 0.0172(7) -0.0020(6) 0.0003(6) 0.0010(6)
C351 0.0378(10) 0.0290(9) 0.0268(9) -0.0026(7) -0.0098(7) 0.0068(8)
C352 0.0298(9) 0.0240(8) 0.0255(8) -0.0043(7) -0.0030(7) 0.0055(7)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 . ?

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 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.060