# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Herbert Roesky'
_publ_contact_author_email       HROESKY@GWDG.DE

_publ_section_title              
;
Reaction of ?-diketiminate tin(II) dimethylamide LSnNMe2
[L = HC(CMeNAr)2; Ar = 2,6-iPr2C6H3] with ketones and alkynes?
;
loop_
_publ_author_name
'Herbert Roesky'
'Anukul Jana'
'Ina Objartel'
'Dietmar Stalke'

# Attachment 'final_cif.cif'

data_p-1
_database_code_depnum_ccdc_archive 'CCDC 743154'
_ccdc_journal_depnumber          743154
_ccdc_compound_id                2
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H56 N4 O Sn'
_chemical_formula_weight         763.61

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'
O O 0.0106 0.0060 '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           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0083(9)
_cell_length_b                   11.8819(10)
_cell_length_c                   16.971(2)
_cell_angle_alpha                96.9270(10)
_cell_angle_beta                 101.1180(10)
_cell_angle_gamma                113.0550(10)
_cell_volume                     1956.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9944
_cell_measurement_theta_min      2.4155
_cell_measurement_theta_max      26.7505

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.3895
_exptl_absorpt_correction_T_max  0.4299
_exptl_absorpt_process_details   SADABS-2008/2

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS-Mo rotating anode'
_diffrn_radiation_monochromator  'INCOATEC Helios mirror optics'
_diffrn_measurement_device_type  'Bruker TXS-Mo rotating anode'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42763
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0168
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         26.02
_reflns_number_total             7688
_reflns_number_gt                7120
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v2.2-0'
_computing_cell_refinement       'SAINT V7.46A'
_computing_data_reduction        'SAINT V7.46A'
_computing_structure_solution    'SHELXS in SHELXTL Ver. 6.10'
_computing_structure_refinement  'SHELXL in SHELXTL Ver. 6.10'
_computing_molecular_graphics    'XSHELL vers. 4.01'
_computing_publication_material  'XSHELL vers. 4.01'

_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^)+(0.0202P)^2^+1.0218P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7688
_refine_ls_number_parameters     454
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0484
_refine_ls_wR_factor_gt          0.0474
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.002
_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 0.648296(11) 0.699353(10) 0.711821(7) 0.01711(4) Uani 1 1 d . . .
N2 N 0.69641(13) 0.69300(12) 0.84841(8) 0.0191(3) Uani 1 1 d . . .
N1 N 0.86610(13) 0.72562(12) 0.72570(8) 0.0182(3) Uani 1 1 d . . .
N3 N 0.67524(13) 0.83079(13) 0.60214(8) 0.0209(3) Uani 1 1 d . . .
N4 N 0.48362(14) 0.92394(14) 0.70027(9) 0.0273(3) Uani 1 1 d . . .
C18 C 0.90446(16) 0.72986(15) 0.64927(10) 0.0195(3) Uani 1 1 d . . .
C34 C 0.68687(16) 0.80293(16) 0.52566(10) 0.0239(4) Uani 1 1 d . . .
H34 H 0.7025 0.7312 0.5103 0.029 Uiso 1 1 calc R . .
C2 C 0.90315(17) 0.66567(15) 0.85691(10) 0.0222(3) Uani 1 1 d . . .
H2 H 0.9668 0.6469 0.8928 0.027 Uiso 1 1 calc R . .
C4 C 0.77161(19) 0.59919(17) 0.95886(11) 0.0281(4) Uani 1 1 d . . .
H4A H 0.7225 0.6330 0.9899 0.042 Uiso 1 1 calc R . .
H4B H 0.8621 0.6185 0.9941 0.042 Uiso 1 1 calc R . .
H4C H 0.7196 0.5081 0.9404 0.042 Uiso 1 1 calc R . .
C5 C 1.06997(17) 0.68847(17) 0.77612(11) 0.0275(4) Uani 1 1 d . . .
H5A H 1.0503 0.6013 0.7538 0.041 Uiso 1 1 calc R . .
H5B H 1.1367 0.7180 0.8300 0.041 Uiso 1 1 calc R . .
H5C H 1.1075 0.7409 0.7386 0.041 Uiso 1 1 calc R . .
C3 C 0.78806(17) 0.65780(14) 0.88484(10) 0.0211(3) Uani 1 1 d . . .
C1 C 0.93913(16) 0.69633(14) 0.78538(10) 0.0209(3) Uani 1 1 d . . .
C7 C 0.46196(17) 0.58826(16) 0.86401(10) 0.0247(4) Uani 1 1 d . . .
C10 C 0.50761(19) 0.80527(17) 0.97321(11) 0.0287(4) Uani 1 1 d . . .
H10 H 0.5223 0.8780 1.0111 0.034 Uiso 1 1 calc R . .
C11 C 0.61322(17) 0.80415(16) 0.93994(10) 0.0236(3) Uani 1 1 d . . .
C17 C 0.7402(2) 1.04251(18) 0.98528(13) 0.0375(5) Uani 1 1 d . . .
H17A H 0.6706 1.0471 0.9418 0.056 Uiso 1 1 calc R . .
H17B H 0.8288 1.1127 0.9913 0.056 Uiso 1 1 calc R . .
H17C H 0.7144 1.0470 1.0373 0.056 Uiso 1 1 calc R . .
C8 C 0.35902(18) 0.59611(18) 0.89835(11) 0.0294(4) Uani 1 1 d . . .
H8 H 0.2720 0.5265 0.8841 0.035 Uiso 1 1 calc R . .
C12 C 0.43398(19) 0.46603(16) 0.80800(11) 0.0308(4) Uani 1 1 d . . .
H12 H 0.5178 0.4784 0.7888 0.037 Uiso 1 1 calc R . .
C14 C 0.3150(2) 0.4285(2) 0.73202(13) 0.0435(5) Uani 1 1 d . . .
H14A H 0.2309 0.4141 0.7490 0.065 Uiso 1 1 calc R . .
H14B H 0.3035 0.3515 0.6967 0.065 Uiso 1 1 calc R . .
H14C H 0.3342 0.4958 0.7016 0.065 Uiso 1 1 calc R . .
C15 C 0.75101(18) 0.91853(16) 0.96255(11) 0.0264(4) Uani 1 1 d . . .
H15 H 0.7887 0.9213 0.9133 0.032 Uiso 1 1 calc R . .
C6 C 0.58945(17) 0.69342(15) 0.88545(10) 0.0213(3) Uani 1 1 d . . .
C16 C 0.8541(2) 0.90929(19) 1.03338(12) 0.0366(4) Uani 1 1 d . . .
H16A H 0.8102 0.8834 1.0773 0.055 Uiso 1 1 calc R . .
H16B H 0.9325 0.9912 1.0549 0.055 Uiso 1 1 calc R . .
H16C H 0.8854 0.8474 1.0133 0.055 Uiso 1 1 calc R . .
C9 C 0.38133(19) 0.70267(18) 0.95240(12) 0.0316(4) Uani 1 1 d . . .
H9 H 0.3103 0.7059 0.9754 0.038 Uiso 1 1 calc R . .
C13 C 0.4072(2) 0.35963(18) 0.85514(14) 0.0415(5) Uani 1 1 d . . .
H13A H 0.4796 0.3876 0.9065 0.062 Uiso 1 1 calc R . .
H13B H 0.4064 0.2864 0.8212 0.062 Uiso 1 1 calc R . .
H13C H 0.3184 0.3372 0.8677 0.062 Uiso 1 1 calc R . .
C24 C 1.01348(17) 0.96816(15) 0.69015(10) 0.0231(3) Uani 1 1 d . . .
H24 H 0.9456 0.9519 0.7238 0.028 Uiso 1 1 calc R . .
C21 C 0.97187(19) 0.73770(17) 0.49965(11) 0.0289(4) Uani 1 1 d . . .
H21 H 0.9960 0.7404 0.4489 0.035 Uiso 1 1 calc R . .
C19 C 0.86492(17) 0.61694(15) 0.59254(11) 0.0226(3) Uani 1 1 d . . .
C26 C 1.01026(17) 1.07381(15) 0.64780(11) 0.0253(4) Uani 1 1 d . . .
H26A H 1.0864 1.1017 0.6221 0.038 Uiso 1 1 calc R . .
H26B H 1.0188 1.1442 0.6886 0.038 Uiso 1 1 calc R . .
H26C H 0.9235 1.0433 0.6055 0.038 Uiso 1 1 calc R . .
C22 C 1.00861(17) 0.84751(16) 0.55554(11) 0.0252(4) Uani 1 1 d . . .
H22 H 1.0580 0.9254 0.5425 0.030 Uiso 1 1 calc R . .
C20 C 0.89972(19) 0.62355(17) 0.51794(11) 0.0280(4) Uani 1 1 d . . .
H20 H 0.8734 0.5483 0.4789 0.034 Uiso 1 1 calc R . .
C27 C 0.78635(18) 0.48898(16) 0.60962(11) 0.0275(4) Uani 1 1 d . . .
H27 H 0.7816 0.5014 0.6681 0.033 Uiso 1 1 calc R . .
C23 C 0.97497(16) 0.84667(15) 0.63043(10) 0.0203(3) Uani 1 1 d . . .
C28 C 0.6400(2) 0.42553(18) 0.55441(14) 0.0411(5) Uani 1 1 d . . .
H28A H 0.5918 0.4775 0.5650 0.062 Uiso 1 1 calc R . .
H28B H 0.5922 0.3431 0.5662 0.062 Uiso 1 1 calc R . .
H28C H 0.6421 0.4153 0.4966 0.062 Uiso 1 1 calc R . .
C29 C 0.8578(2) 0.40277(17) 0.59835(13) 0.0364(5) Uani 1 1 d . . .
H29A H 0.8111 0.3258 0.6167 0.055 Uiso 1 1 calc R . .
H29B H 0.9533 0.4456 0.6310 0.055 Uiso 1 1 calc R . .
H29C H 0.8547 0.3818 0.5401 0.055 Uiso 1 1 calc R . .
C25 C 1.1549(2) 1.01196(18) 0.74893(12) 0.0354(4) Uani 1 1 d . . .
H25A H 1.1534 0.9503 0.7826 0.053 Uiso 1 1 calc R . .
H25B H 1.1796 1.0930 0.7847 0.053 Uiso 1 1 calc R . .
H25C H 1.2224 1.0207 0.7172 0.053 Uiso 1 1 calc R . .
C32 C 0.65624(17) 0.97964(17) 0.49156(11) 0.0282(4) Uani 1 1 d . . .
H32 H 0.6509 1.0316 0.4539 0.034 Uiso 1 1 calc R . .
C31 C 0.64327(17) 1.00828(16) 0.56990(11) 0.0253(4) Uani 1 1 d . . .
H31 H 0.6288 1.0802 0.5867 0.030 Uiso 1 1 calc R . .
C33 C 0.67707(17) 0.87421(17) 0.46859(11) 0.0271(4) Uani 1 1 d . . .
H33 H 0.6844 0.8515 0.4147 0.033 Uiso 1 1 calc R . .
C30 C 0.65167(16) 0.93076(15) 0.62394(10) 0.0210(3) Uani 1 1 d . . .
C35 C 0.38731(18) 0.80319(17) 0.64616(13) 0.0333(4) Uani 1 1 d . . .
H35A H 0.3952 0.7352 0.6710 0.050 Uiso 1 1 calc R . .
H35B H 0.4084 0.7975 0.5927 0.050 Uiso 1 1 calc R . .
H35C H 0.2938 0.7960 0.6385 0.050 Uiso 1 1 calc R . .
C36 C 0.4515(2) 0.9294(2) 0.78034(13) 0.0408(5) Uani 1 1 d . . .
H36A H 0.3561 0.9165 0.7725 0.061 Uiso 1 1 calc R . .
H36B H 0.5120 1.0115 0.8164 0.061 Uiso 1 1 calc R . .
H36C H 0.4650 0.8637 0.8055 0.061 Uiso 1 1 calc R . .
C42 C 0.84961(19) 1.12506(16) 0.80171(11) 0.0290(4) Uani 1 1 d . . .
H42 H 0.8830 1.0634 0.8089 0.035 Uiso 1 1 calc R . .
C37 C 0.71772(19) 1.08919(16) 0.75450(11) 0.0254(4) Uani 1 1 d . . .
C38 C 0.6702(2) 1.18137(18) 0.74645(12) 0.0365(5) Uani 1 1 d . . .
H38 H 0.5800 1.1589 0.7143 0.044 Uiso 1 1 calc R . .
C40 C 0.8855(3) 1.34038(19) 0.83076(14) 0.0498(6) Uani 1 1 d . . .
H40 H 0.9428 1.4257 0.8565 0.060 Uiso 1 1 calc R . .
C39 C 0.7540(3) 1.30599(19) 0.78530(14) 0.0495(6) Uani 1 1 d . . .
H39 H 0.7200 1.3677 0.7803 0.059 Uiso 1 1 calc R . .
C41 C 0.9339(2) 1.25007(18) 0.83881(13) 0.0407(5) Uani 1 1 d . . .
H41 H 1.0249 1.2734 0.8698 0.049 Uiso 1 1 calc R . .
O1 O 0.67210(11) 0.87678(10) 0.75724(7) 0.0205(2) Uani 1 1 d . . .
C43 C 0.63035(17) 0.95048(15) 0.71106(11) 0.0224(3) Uani 1 1 d . . .

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 0.01603(6) 0.01547(6) 0.02057(6) 0.00596(4) 0.00678(4) 0.00597(4)
N2 0.0209(7) 0.0155(6) 0.0222(7) 0.0059(5) 0.0093(6) 0.0069(6)
N1 0.0176(6) 0.0166(6) 0.0222(7) 0.0061(5) 0.0085(5) 0.0070(5)
N3 0.0161(6) 0.0210(7) 0.0263(7) 0.0085(6) 0.0070(6) 0.0069(6)
N4 0.0225(7) 0.0339(8) 0.0362(8) 0.0170(7) 0.0148(6) 0.0168(7)
C18 0.0164(7) 0.0221(8) 0.0239(8) 0.0073(7) 0.0084(6) 0.0101(7)
C34 0.0177(8) 0.0277(9) 0.0255(9) 0.0072(7) 0.0061(7) 0.0082(7)
C2 0.0235(8) 0.0213(8) 0.0240(8) 0.0076(7) 0.0047(7) 0.0116(7)
C4 0.0338(10) 0.0289(9) 0.0260(9) 0.0122(7) 0.0096(8) 0.0152(8)
C5 0.0230(9) 0.0299(9) 0.0350(10) 0.0113(8) 0.0097(7) 0.0145(8)
C3 0.0268(9) 0.0149(8) 0.0200(8) 0.0040(6) 0.0068(7) 0.0070(7)
C1 0.0191(8) 0.0147(8) 0.0285(9) 0.0040(6) 0.0066(7) 0.0067(6)
C7 0.0262(9) 0.0250(9) 0.0246(9) 0.0121(7) 0.0096(7) 0.0094(7)
C10 0.0362(10) 0.0308(10) 0.0278(9) 0.0094(7) 0.0142(8) 0.0197(8)
C11 0.0280(9) 0.0246(9) 0.0225(8) 0.0094(7) 0.0093(7) 0.0132(7)
C17 0.0397(11) 0.0257(10) 0.0444(12) -0.0001(8) 0.0099(9) 0.0139(9)
C8 0.0226(9) 0.0334(10) 0.0325(10) 0.0152(8) 0.0105(7) 0.0086(8)
C12 0.0302(10) 0.0231(9) 0.0326(10) 0.0069(8) 0.0131(8) 0.0021(8)
C14 0.0363(11) 0.0392(12) 0.0352(11) 0.0035(9) 0.0081(9) -0.0024(9)
C15 0.0299(9) 0.0224(9) 0.0269(9) 0.0033(7) 0.0099(7) 0.0105(7)
C6 0.0235(8) 0.0237(8) 0.0206(8) 0.0098(7) 0.0092(7) 0.0110(7)
C16 0.0351(11) 0.0331(10) 0.0350(11) 0.0051(8) 0.0056(9) 0.0101(9)
C9 0.0312(10) 0.0411(11) 0.0351(10) 0.0176(9) 0.0185(8) 0.0211(9)
C13 0.0477(12) 0.0226(10) 0.0487(13) 0.0102(9) 0.0199(10) 0.0052(9)
C24 0.0227(8) 0.0191(8) 0.0277(9) 0.0070(7) 0.0106(7) 0.0066(7)
C21 0.0377(10) 0.0328(10) 0.0285(9) 0.0125(8) 0.0192(8) 0.0210(8)
C19 0.0215(8) 0.0208(8) 0.0292(9) 0.0076(7) 0.0101(7) 0.0106(7)
C26 0.0240(9) 0.0186(8) 0.0342(10) 0.0082(7) 0.0126(7) 0.0070(7)
C22 0.0246(9) 0.0238(9) 0.0333(10) 0.0132(7) 0.0145(7) 0.0113(7)
C20 0.0357(10) 0.0243(9) 0.0288(9) 0.0037(7) 0.0130(8) 0.0162(8)
C27 0.0314(9) 0.0186(8) 0.0341(10) 0.0045(7) 0.0163(8) 0.0091(7)
C23 0.0165(8) 0.0208(8) 0.0264(8) 0.0068(7) 0.0077(6) 0.0093(7)
C28 0.0320(10) 0.0271(10) 0.0535(13) -0.0045(9) 0.0144(9) 0.0043(8)
C29 0.0469(12) 0.0219(9) 0.0496(12) 0.0123(8) 0.0257(10) 0.0169(9)
C25 0.0351(10) 0.0281(10) 0.0329(10) 0.0054(8) 0.0002(8) 0.0077(8)
C32 0.0203(8) 0.0346(10) 0.0328(10) 0.0196(8) 0.0084(7) 0.0109(8)
C31 0.0200(8) 0.0251(9) 0.0340(10) 0.0134(7) 0.0081(7) 0.0105(7)
C33 0.0184(8) 0.0355(10) 0.0260(9) 0.0106(8) 0.0072(7) 0.0083(7)
C30 0.0137(7) 0.0223(8) 0.0267(9) 0.0087(7) 0.0054(6) 0.0064(6)
C35 0.0208(9) 0.0328(10) 0.0510(12) 0.0207(9) 0.0113(8) 0.0123(8)
C36 0.0348(11) 0.0630(14) 0.0464(12) 0.0287(11) 0.0252(9) 0.0316(11)
C42 0.0341(10) 0.0213(9) 0.0324(10) 0.0045(7) 0.0142(8) 0.0104(8)
C37 0.0347(10) 0.0214(9) 0.0272(9) 0.0098(7) 0.0162(8) 0.0141(8)
C38 0.0541(13) 0.0310(10) 0.0378(11) 0.0152(8) 0.0178(9) 0.0268(10)
C40 0.0780(17) 0.0195(10) 0.0430(13) 0.0037(9) 0.0203(12) 0.0107(11)
C39 0.0920(19) 0.0280(11) 0.0455(13) 0.0158(10) 0.0275(13) 0.0364(12)
C41 0.0460(12) 0.0273(10) 0.0380(11) 0.0007(8) 0.0134(9) 0.0056(9)
O1 0.0234(6) 0.0182(6) 0.0240(6) 0.0081(5) 0.0082(5) 0.0112(5)
C43 0.0206(8) 0.0231(8) 0.0297(9) 0.0122(7) 0.0101(7) 0.0122(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 O1 2.0505(11) . ?
Sn1 N1 2.2538(13) . ?
Sn1 N2 2.2934(13) . ?
Sn1 N3 2.5580(14) . ?
N2 C3 1.314(2) . ?
N2 C6 1.439(2) . ?
N1 C1 1.335(2) . ?
N1 C18 1.440(2) . ?
N3 C30 1.337(2) . ?
N3 C34 1.343(2) . ?
N4 C35 1.463(2) . ?
N4 C36 1.469(2) . ?
N4 C43 1.488(2) . ?
C18 C19 1.409(2) . ?
C18 C23 1.411(2) . ?
C34 C33 1.377(2) . ?
C2 C1 1.394(2) . ?
C2 C3 1.410(2) . ?
C4 C3 1.515(2) . ?
C5 C1 1.516(2) . ?
C7 C8 1.399(2) . ?
C7 C6 1.408(2) . ?
C7 C12 1.520(2) . ?
C10 C9 1.387(3) . ?
C10 C11 1.391(2) . ?
C11 C6 1.414(2) . ?
C11 C15 1.526(2) . ?
C17 C15 1.533(2) . ?
C8 C9 1.376(3) . ?
C12 C14 1.526(3) . ?
C12 C13 1.539(3) . ?
C15 C16 1.532(3) . ?
C24 C23 1.514(2) . ?
C24 C25 1.526(2) . ?
C24 C26 1.528(2) . ?
C21 C22 1.380(2) . ?
C21 C20 1.386(3) . ?
C19 C20 1.394(2) . ?
C19 C27 1.522(2) . ?
C22 C23 1.391(2) . ?
C27 C28 1.529(3) . ?
C27 C29 1.532(2) . ?
C32 C31 1.380(3) . ?
C32 C33 1.384(3) . ?
C31 C30 1.391(2) . ?
C30 C43 1.546(2) . ?
C42 C37 1.384(3) . ?
C42 C41 1.390(3) . ?
C37 C38 1.396(2) . ?
C37 C43 1.542(2) . ?
C38 C39 1.392(3) . ?
C40 C39 1.374(4) . ?
C40 C41 1.381(3) . ?
O1 C43 1.3907(19) . ?

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
O1 Sn1 N1 102.50(5) . . ?
O1 Sn1 N2 83.18(4) . . ?
N1 Sn1 N2 83.14(5) . . ?
O1 Sn1 N3 68.66(4) . . ?
N1 Sn1 N3 88.71(4) . . ?
N2 Sn1 N3 148.22(5) . . ?
C3 N2 C6 120.04(13) . . ?
C3 N2 Sn1 124.89(11) . . ?
C6 N2 Sn1 112.52(10) . . ?
C1 N1 C18 117.63(13) . . ?
C1 N1 Sn1 125.63(11) . . ?
C18 N1 Sn1 112.68(10) . . ?
C30 N3 C34 119.10(14) . . ?
C30 N3 Sn1 110.41(10) . . ?
C34 N3 Sn1 129.54(11) . . ?
C35 N4 C36 108.44(15) . . ?
C35 N4 C43 114.54(14) . . ?
C36 N4 C43 110.44(14) . . ?
C19 C18 C23 120.91(15) . . ?
C19 C18 N1 119.30(14) . . ?
C23 C18 N1 119.71(14) . . ?
N3 C34 C33 122.62(17) . . ?
C1 C2 C3 130.77(15) . . ?
N2 C3 C2 123.65(15) . . ?
N2 C3 C4 120.92(15) . . ?
C2 C3 C4 115.36(15) . . ?
N1 C1 C2 125.59(15) . . ?
N1 C1 C5 119.78(15) . . ?
C2 C1 C5 114.57(15) . . ?
C8 C7 C6 118.12(16) . . ?
C8 C7 C12 119.09(16) . . ?
C6 C7 C12 122.75(15) . . ?
C9 C10 C11 121.53(17) . . ?
C10 C11 C6 117.93(16) . . ?
C10 C11 C15 120.90(16) . . ?
C6 C11 C15 121.17(15) . . ?
C9 C8 C7 121.32(17) . . ?
C7 C12 C14 112.40(17) . . ?
C7 C12 C13 110.90(15) . . ?
C14 C12 C13 110.08(16) . . ?
C11 C15 C16 111.76(15) . . ?
C11 C15 C17 113.22(15) . . ?
C16 C15 C17 108.82(15) . . ?
C7 C6 C11 121.19(15) . . ?
C7 C6 N2 120.43(15) . . ?
C11 C6 N2 118.28(14) . . ?
C8 C9 C10 119.88(17) . . ?
C23 C24 C25 111.12(14) . . ?
C23 C24 C26 113.36(14) . . ?
C25 C24 C26 109.02(14) . . ?
C22 C21 C20 119.73(16) . . ?
C20 C19 C18 118.27(15) . . ?
C20 C19 C27 119.05(15) . . ?
C18 C19 C27 122.68(15) . . ?
C21 C22 C23 121.50(16) . . ?
C21 C20 C19 121.27(16) . . ?
C19 C27 C28 111.21(16) . . ?
C19 C27 C29 111.86(14) . . ?
C28 C27 C29 109.46(15) . . ?
C22 C23 C18 118.28(15) . . ?
C22 C23 C24 120.73(15) . . ?
C18 C23 C24 120.99(14) . . ?
C31 C32 C33 119.15(16) . . ?
C32 C31 C30 119.32(16) . . ?
C34 C33 C32 118.49(17) . . ?
N3 C30 C31 121.29(16) . . ?
N3 C30 C43 115.44(14) . . ?
C31 C30 C43 123.24(15) . . ?
C37 C42 C41 120.93(18) . . ?
C42 C37 C38 118.35(17) . . ?
C42 C37 C43 119.15(15) . . ?
C38 C37 C43 122.47(17) . . ?
C39 C38 C37 120.4(2) . . ?
C39 C40 C41 119.6(2) . . ?
C40 C39 C38 120.5(2) . . ?
C40 C41 C42 120.2(2) . . ?
C43 O1 Sn1 125.03(10) . . ?
O1 C43 N4 113.82(13) . . ?
O1 C43 C37 108.46(14) . . ?
N4 C43 C37 108.25(13) . . ?
O1 C43 C30 110.75(13) . . ?
N4 C43 C30 106.86(13) . . ?
C37 C43 C30 108.55(13) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Sn1 N2 C3 -130.09(13) . . . . ?
N1 Sn1 N2 C3 -26.55(13) . . . . ?
N3 Sn1 N2 C3 -102.82(14) . . . . ?
O1 Sn1 N2 C6 68.17(10) . . . . ?
N1 Sn1 N2 C6 171.70(11) . . . . ?
N3 Sn1 N2 C6 95.43(12) . . . . ?
O1 Sn1 N1 C1 101.17(13) . . . . ?
N2 Sn1 N1 C1 19.75(13) . . . . ?
N3 Sn1 N1 C1 168.97(13) . . . . ?
O1 Sn1 N1 C18 -102.20(10) . . . . ?
N2 Sn1 N1 C18 176.38(11) . . . . ?
N3 Sn1 N1 C18 -34.40(10) . . . . ?
O1 Sn1 N3 C30 -17.61(10) . . . . ?
N1 Sn1 N3 C30 -121.58(11) . . . . ?
N2 Sn1 N3 C30 -46.85(14) . . . . ?
O1 Sn1 N3 C34 173.86(14) . . . . ?
N1 Sn1 N3 C34 69.90(13) . . . . ?
N2 Sn1 N3 C34 144.63(13) . . . . ?
C1 N1 C18 C19 78.48(19) . . . . ?
Sn1 N1 C18 C19 -80.17(15) . . . . ?
C1 N1 C18 C23 -104.62(17) . . . . ?
Sn1 N1 C18 C23 96.73(14) . . . . ?
C30 N3 C34 C33 0.8(2) . . . . ?
Sn1 N3 C34 C33 168.45(12) . . . . ?
C6 N2 C3 C2 -173.86(15) . . . . ?
Sn1 N2 C3 C2 25.7(2) . . . . ?
C6 N2 C3 C4 9.2(2) . . . . ?
Sn1 N2 C3 C4 -151.31(12) . . . . ?
C1 C2 C3 N2 -7.5(3) . . . . ?
C1 C2 C3 C4 169.59(17) . . . . ?
C18 N1 C1 C2 -167.70(15) . . . . ?
Sn1 N1 C1 C2 -12.1(2) . . . . ?
C18 N1 C1 C5 9.3(2) . . . . ?
Sn1 N1 C1 C5 164.87(11) . . . . ?
C3 C2 C1 N1 -0.2(3) . . . . ?
C3 C2 C1 C5 -177.35(17) . . . . ?
C9 C10 C11 C6 -1.6(3) . . . . ?
C9 C10 C11 C15 179.14(16) . . . . ?
C6 C7 C8 C9 -0.8(3) . . . . ?
C12 C7 C8 C9 176.97(17) . . . . ?
C8 C7 C12 C14 60.6(2) . . . . ?
C6 C7 C12 C14 -121.80(18) . . . . ?
C8 C7 C12 C13 -63.1(2) . . . . ?
C6 C7 C12 C13 114.49(19) . . . . ?
C10 C11 C15 C16 94.7(2) . . . . ?
C6 C11 C15 C16 -84.5(2) . . . . ?
C10 C11 C15 C17 -28.6(2) . . . . ?
C6 C11 C15 C17 152.23(16) . . . . ?
C8 C7 C6 C11 -0.2(2) . . . . ?
C12 C7 C6 C11 -177.83(15) . . . . ?
C8 C7 C6 N2 -176.51(15) . . . . ?
C12 C7 C6 N2 5.8(2) . . . . ?
C10 C11 C6 C7 1.3(2) . . . . ?
C15 C11 C6 C7 -179.44(15) . . . . ?
C10 C11 C6 N2 177.76(15) . . . . ?
C15 C11 C6 N2 -3.0(2) . . . . ?
C3 N2 C6 C7 -93.00(19) . . . . ?
Sn1 N2 C6 C7 69.73(16) . . . . ?
C3 N2 C6 C11 90.55(19) . . . . ?
Sn1 N2 C6 C11 -106.72(14) . . . . ?
C7 C8 C9 C10 0.5(3) . . . . ?
C11 C10 C9 C8 0.7(3) . . . . ?
C23 C18 C19 C20 1.3(2) . . . . ?
N1 C18 C19 C20 178.13(15) . . . . ?
C23 C18 C19 C27 -178.79(15) . . . . ?
N1 C18 C19 C27 -1.9(2) . . . . ?
C20 C21 C22 C23 0.1(3) . . . . ?
C22 C21 C20 C19 -1.0(3) . . . . ?
C18 C19 C20 C21 0.3(3) . . . . ?
C27 C19 C20 C21 -179.62(17) . . . . ?
C20 C19 C27 C28 -69.2(2) . . . . ?
C18 C19 C27 C28 110.85(19) . . . . ?
C20 C19 C27 C29 53.5(2) . . . . ?
C18 C19 C27 C29 -126.42(18) . . . . ?
C21 C22 C23 C18 1.5(2) . . . . ?
C21 C22 C23 C24 -178.67(16) . . . . ?
C19 C18 C23 C22 -2.1(2) . . . . ?
N1 C18 C23 C22 -178.99(14) . . . . ?
C19 C18 C23 C24 177.99(15) . . . . ?
N1 C18 C23 C24 1.1(2) . . . . ?
C25 C24 C23 C22 -89.61(19) . . . . ?
C26 C24 C23 C22 33.6(2) . . . . ?
C25 C24 C23 C18 90.25(18) . . . . ?
C26 C24 C23 C18 -146.56(15) . . . . ?
C33 C32 C31 C30 0.1(2) . . . . ?
N3 C34 C33 C32 0.9(3) . . . . ?
C31 C32 C33 C34 -1.3(2) . . . . ?
C34 N3 C30 C31 -2.0(2) . . . . ?
Sn1 N3 C30 C31 -171.91(12) . . . . ?
C34 N3 C30 C43 176.14(14) . . . . ?
Sn1 N3 C30 C43 6.25(16) . . . . ?
C32 C31 C30 N3 1.6(2) . . . . ?
C32 C31 C30 C43 -176.43(15) . . . . ?
C41 C42 C37 C38 -1.4(3) . . . . ?
C41 C42 C37 C43 177.05(17) . . . . ?
C42 C37 C38 C39 -0.1(3) . . . . ?
C43 C37 C38 C39 -178.45(17) . . . . ?
C41 C40 C39 C38 -0.9(3) . . . . ?
C37 C38 C39 C40 1.3(3) . . . . ?
C39 C40 C41 C42 -0.5(3) . . . . ?
C37 C42 C41 C40 1.7(3) . . . . ?
N1 Sn1 O1 C43 113.57(12) . . . . ?
N2 Sn1 O1 C43 -165.05(12) . . . . ?
N3 Sn1 O1 C43 29.97(11) . . . . ?
Sn1 O1 C43 N4 83.83(16) . . . . ?
Sn1 O1 C43 C37 -155.61(10) . . . . ?
Sn1 O1 C43 C30 -36.59(17) . . . . ?
C35 N4 C43 O1 -70.49(19) . . . . ?
C36 N4 C43 O1 52.3(2) . . . . ?
C35 N4 C43 C37 168.84(14) . . . . ?
C36 N4 C43 C37 -68.39(18) . . . . ?
C35 N4 C43 C30 52.09(18) . . . . ?
C36 N4 C43 C30 174.86(15) . . . . ?
C42 C37 C43 O1 29.0(2) . . . . ?
C38 C37 C43 O1 -152.62(16) . . . . ?
C42 C37 C43 N4 153.00(15) . . . . ?
C38 C37 C43 N4 -28.7(2) . . . . ?
C42 C37 C43 C30 -91.35(18) . . . . ?
C38 C37 C43 C30 86.98(19) . . . . ?
N3 C30 C43 O1 14.26(19) . . . . ?
C31 C30 C43 O1 -167.62(14) . . . . ?
N3 C30 C43 N4 -110.23(15) . . . . ?
C31 C30 C43 N4 67.89(19) . . . . ?
N3 C30 C43 C37 133.22(15) . . . . ?
C31 C30 C43 C37 -48.7(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.02
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.250
_refine_diff_density_rms         0.047

#===END

data_p21n
_database_code_depnum_ccdc_archive 'CCDC 743155'
_ccdc_journal_depnumber          743155
_ccdc_compound_id                5
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H46 N2 O2 Sn'
_chemical_formula_weight         633.42

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'
O O 0.0106 0.0060 '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   P2(1)/n

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                   12.777(2)
_cell_length_b                   19.911(4)
_cell_length_c                   13.186(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.998(2)
_cell_angle_gamma                90.00
_cell_volume                     3240.2(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9827
_cell_measurement_theta_min      2.2265
_cell_measurement_theta_max      27.442

_exptl_crystal_description       plate
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1320
_exptl_absorpt_coefficient_mu    0.819
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.3889
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_process_details   SADABS-2008/2

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'INCOATEC Mo micro source'
_diffrn_radiation_monochromator  'INCOATEC quazar mirror optics'
_diffrn_measurement_device_type  'Bruker Smart ApexII with D8-Goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60564
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0170
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.90
_diffrn_reflns_theta_max         26.73
_reflns_number_total             6864
_reflns_number_gt                6040
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v2.2-0'
_computing_cell_refinement       'SAINT V7.60A'
_computing_data_reduction        'SAINT V7.60A'
_computing_structure_solution    'SHELXS in SHELXTL Version 2008/4'
_computing_structure_refinement  'SHELXL in SHELXTL Version 2008/4'
_computing_molecular_graphics    'XSHELL vers. 4.01'
_computing_publication_material  'XSHELL vers. 4.01'

_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^)+(0.0218P)^2^+3.0150P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6864
_refine_ls_number_parameters     363
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0249
_refine_ls_wR_factor_ref         0.0592
_refine_ls_wR_factor_gt          0.0564
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_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 0.697265(10) 0.147148(7) 0.201362(10) 0.02068(5) Uani 1 1 d . . .
O2 O 0.86309(13) -0.03263(8) -0.04074(12) 0.0322(3) Uani 1 1 d . . .
C7 C 0.47813(15) 0.04966(10) 0.10360(14) 0.0209(4) Uani 1 1 d . . .
H7 H 0.4360 0.0156 0.0616 0.025 Uiso 1 1 calc R . .
C6 C 0.53888(15) 0.02927(9) 0.20360(15) 0.0196(4) Uani 1 1 d . . .
C1 C 0.73750(17) 0.08059(11) 0.08230(16) 0.0272(4) Uani 1 1 d . . .
C9 C 0.37761(17) 0.12468(11) -0.03788(15) 0.0267(4) Uani 1 1 d . . .
H9A H 0.3324 0.1615 -0.0239 0.040 Uiso 1 1 calc R . .
H9B H 0.3341 0.0836 -0.0535 0.040 Uiso 1 1 calc R . .
H9C H 0.4057 0.1363 -0.0981 0.040 Uiso 1 1 calc R . .
C8 C 0.47136(15) 0.11325(10) 0.05780(14) 0.0201(4) Uani 1 1 d . . .
C2 C 0.76992(17) 0.05334(11) 0.01392(17) 0.0294(5) Uani 1 1 d . . .
C10 C 0.49988(17) -0.03310(10) 0.24760(16) 0.0262(4) Uani 1 1 d . . .
H10A H 0.5604 -0.0646 0.2707 0.039 Uiso 1 1 calc R . .
H10B H 0.4424 -0.0543 0.1932 0.039 Uiso 1 1 calc R . .
H10C H 0.4716 -0.0209 0.3075 0.039 Uiso 1 1 calc R . .
C3 C 0.80527(17) 0.02347(11) -0.07164(17) 0.0282(4) Uani 1 1 d . . .
C4 C 0.9050(2) -0.06544(12) -0.12016(18) 0.0369(5) Uani 1 1 d . . .
H4A H 0.9573 -0.0358 -0.1422 0.044 Uiso 1 1 calc R . .
H4B H 0.8452 -0.0761 -0.1825 0.044 Uiso 1 1 calc R . .
C5 C 0.9597(2) -0.12846(12) -0.0722(2) 0.0419(6) Uani 1 1 d . . .
H5A H 1.0167 -0.1173 -0.0090 0.063 Uiso 1 1 calc R . .
H5B H 0.9918 -0.1513 -0.1228 0.063 Uiso 1 1 calc R . .
H5C H 0.9065 -0.1581 -0.0534 0.063 Uiso 1 1 calc R . .
O1 O 0.78547(14) 0.04585(8) -0.15968(12) 0.0381(4) Uani 1 1 d . . .
C12 C 0.64553(16) 0.07217(10) 0.45191(15) 0.0216(4) Uani 1 1 d . . .
C16 C 0.75350(16) -0.00986(10) 0.38430(15) 0.0223(4) Uani 1 1 d . . .
C17 C 0.56234(17) 0.12805(10) 0.43559(15) 0.0244(4) Uani 1 1 d . . .
H17 H 0.5295 0.1326 0.3584 0.029 Uiso 1 1 calc R . .
C15 C 0.80451(17) -0.02769(11) 0.48811(16) 0.0272(4) Uani 1 1 d . . .
H15 H 0.8589 -0.0614 0.5012 0.033 Uiso 1 1 calc R . .
C20 C 0.78773(16) -0.04382(10) 0.29470(16) 0.0251(4) Uani 1 1 d . . .
H20 H 0.7344 -0.0310 0.2276 0.030 Uiso 1 1 calc R . .
C22 C 0.89975(17) -0.01925(11) 0.28906(18) 0.0310(5) Uani 1 1 d . . .
H22A H 0.8986 0.0297 0.2815 0.046 Uiso 1 1 calc R . .
H22B H 0.9184 -0.0398 0.2285 0.046 Uiso 1 1 calc R . .
H22C H 0.9538 -0.0319 0.3536 0.046 Uiso 1 1 calc R . .
C13 C 0.69836(17) 0.05213(10) 0.55395(15) 0.0254(4) Uani 1 1 d . . .
H13 H 0.6797 0.0727 0.6119 0.030 Uiso 1 1 calc R . .
C11 C 0.67410(15) 0.04052(9) 0.36787(14) 0.0196(4) Uani 1 1 d . . .
C14 C 0.77710(17) 0.00292(11) 0.57197(16) 0.0274(4) Uani 1 1 d . . .
H14 H 0.8124 -0.0099 0.6418 0.033 Uiso 1 1 calc R . .
C21 C 0.78677(18) -0.12091(11) 0.30366(18) 0.0313(5) Uani 1 1 d . . .
H21A H 0.8412 -0.1350 0.3671 0.047 Uiso 1 1 calc R . .
H21B H 0.8036 -0.1409 0.2418 0.047 Uiso 1 1 calc R . .
H21C H 0.7149 -0.1359 0.3078 0.047 Uiso 1 1 calc R . .
C18 C 0.4710(2) 0.11401(14) 0.4873(2) 0.0460(6) Uani 1 1 d . . .
H18A H 0.4356 0.0716 0.4605 0.069 Uiso 1 1 calc R . .
H18B H 0.4179 0.1506 0.4711 0.069 Uiso 1 1 calc R . .
H18C H 0.5006 0.1108 0.5635 0.069 Uiso 1 1 calc R . .
C19 C 0.6169(2) 0.19480(12) 0.4753(2) 0.0450(6) Uani 1 1 d . . .
H19A H 0.6494 0.1919 0.5511 0.068 Uiso 1 1 calc R . .
H19B H 0.5628 0.2308 0.4608 0.068 Uiso 1 1 calc R . .
H19C H 0.6734 0.2045 0.4394 0.068 Uiso 1 1 calc R . .
C26 C 0.44023(17) 0.35669(11) -0.02536(17) 0.0294(5) Uani 1 1 d . . .
H26 H 0.4140 0.3990 -0.0545 0.035 Uiso 1 1 calc R . .
C27 C 0.49850(17) 0.31657(11) -0.07534(16) 0.0282(5) Uani 1 1 d . . .
H27 H 0.5145 0.3323 -0.1376 0.034 Uiso 1 1 calc R . .
C23 C 0.50865(15) 0.23085(10) 0.05498(15) 0.0205(4) Uani 1 1 d . . .
C28 C 0.53486(16) 0.25297(10) -0.03666(15) 0.0236(4) Uani 1 1 d . . .
C32 C 0.60587(19) 0.21144(11) -0.08858(16) 0.0295(5) Uani 1 1 d . . .
H32 H 0.6028 0.1638 -0.0655 0.035 Uiso 1 1 calc R . .
C25 C 0.41962(16) 0.33544(11) 0.06789(17) 0.0278(4) Uani 1 1 d . . .
H25 H 0.3814 0.3641 0.1033 0.033 Uiso 1 1 calc R . .
C24 C 0.45416(15) 0.27269(10) 0.11027(15) 0.0225(4) Uani 1 1 d . . .
C29 C 0.43484(17) 0.25087(11) 0.21453(16) 0.0259(4) Uani 1 1 d . . .
H29 H 0.4989 0.2235 0.2517 0.031 Uiso 1 1 calc R . .
C30 C 0.33462(18) 0.20630(12) 0.20097(18) 0.0330(5) Uani 1 1 d . . .
H30A H 0.2702 0.2311 0.1628 0.049 Uiso 1 1 calc R . .
H30B H 0.3264 0.1933 0.2702 0.049 Uiso 1 1 calc R . .
H30C H 0.3431 0.1660 0.1613 0.049 Uiso 1 1 calc R . .
C31 C 0.4277(2) 0.31050(12) 0.28558(19) 0.0377(5) Uani 1 1 d . . .
H31A H 0.4914 0.3393 0.2927 0.057 Uiso 1 1 calc R . .
H31B H 0.4253 0.2940 0.3550 0.057 Uiso 1 1 calc R . .
H31C H 0.3619 0.3364 0.2546 0.057 Uiso 1 1 calc R . .
C33 C 0.5701(3) 0.21258(13) -0.20898(18) 0.0439(6) Uani 1 1 d . . .
H33A H 0.4931 0.2008 -0.2328 0.066 Uiso 1 1 calc R . .
H33B H 0.6129 0.1800 -0.2369 0.066 Uiso 1 1 calc R . .
H33C H 0.5812 0.2576 -0.2341 0.066 Uiso 1 1 calc R . .
C34 C 0.7237(2) 0.23523(13) -0.0501(2) 0.0413(6) Uani 1 1 d . . .
H34A H 0.7294 0.2816 -0.0732 0.062 Uiso 1 1 calc R . .
H34B H 0.7705 0.2061 -0.0793 0.062 Uiso 1 1 calc R . .
H34C H 0.7465 0.2332 0.0267 0.062 Uiso 1 1 calc R . .
N1 N 0.62333(13) 0.06253(8) 0.26171(11) 0.0183(3) Uani 1 1 d . . .
N2 N 0.53843(13) 0.16417(8) 0.09491(12) 0.0187(3) Uani 1 1 d . . .

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 0.01957(7) 0.02178(7) 0.01909(7) 0.00274(5) 0.00212(5) -0.00299(5)
O2 0.0415(9) 0.0311(8) 0.0270(8) 0.0029(6) 0.0142(7) 0.0057(7)
C7 0.0227(9) 0.0217(9) 0.0169(9) -0.0029(7) 0.0025(7) -0.0042(8)
C6 0.0214(9) 0.0180(9) 0.0198(9) -0.0007(7) 0.0059(7) -0.0012(7)
C1 0.0254(10) 0.0310(11) 0.0269(10) 0.0041(9) 0.0096(8) 0.0012(9)
C9 0.0276(10) 0.0282(10) 0.0194(9) 0.0031(8) -0.0025(8) -0.0050(8)
C8 0.0207(9) 0.0245(10) 0.0146(8) -0.0015(7) 0.0036(7) -0.0009(8)
C2 0.0275(11) 0.0314(11) 0.0290(11) 0.0055(9) 0.0069(9) -0.0009(9)
C10 0.0275(10) 0.0229(10) 0.0252(10) 0.0045(8) 0.0015(8) -0.0061(8)
C3 0.0284(11) 0.0288(11) 0.0280(11) 0.0009(9) 0.0083(9) -0.0043(9)
C4 0.0485(14) 0.0356(12) 0.0299(12) -0.0024(10) 0.0162(10) 0.0026(11)
C5 0.0452(14) 0.0339(13) 0.0461(15) -0.0037(11) 0.0111(12) 0.0022(11)
O1 0.0482(10) 0.0395(9) 0.0274(8) 0.0069(7) 0.0114(7) 0.0048(8)
C12 0.0238(10) 0.0211(10) 0.0186(9) 0.0015(7) 0.0029(7) -0.0059(8)
C16 0.0228(10) 0.0217(9) 0.0200(9) 0.0025(8) 0.0011(8) -0.0039(8)
C17 0.0301(11) 0.0246(10) 0.0180(9) 0.0000(8) 0.0053(8) -0.0001(8)
C15 0.0245(10) 0.0257(10) 0.0267(10) 0.0051(8) -0.0017(8) 0.0006(8)
C20 0.0264(10) 0.0225(10) 0.0224(10) 0.0004(8) -0.0006(8) 0.0032(8)
C22 0.0305(11) 0.0294(11) 0.0333(12) -0.0007(9) 0.0086(9) 0.0034(9)
C13 0.0297(11) 0.0277(11) 0.0177(9) 0.0010(8) 0.0040(8) -0.0073(9)
C11 0.0211(9) 0.0191(9) 0.0163(9) 0.0028(7) 0.0008(7) -0.0054(7)
C14 0.0296(11) 0.0306(11) 0.0179(9) 0.0061(8) -0.0015(8) -0.0059(9)
C21 0.0310(11) 0.0240(10) 0.0327(12) -0.0021(9) -0.0027(9) 0.0029(9)
C18 0.0412(14) 0.0507(16) 0.0516(16) 0.0164(13) 0.0218(12) 0.0116(12)
C19 0.0520(16) 0.0280(12) 0.0467(15) -0.0071(11) -0.0022(12) 0.0009(11)
C26 0.0266(10) 0.0228(10) 0.0322(11) 0.0070(9) -0.0043(9) 0.0007(8)
C27 0.0310(11) 0.0268(11) 0.0221(10) 0.0068(8) -0.0014(8) -0.0072(9)
C23 0.0194(9) 0.0206(9) 0.0185(9) 0.0024(7) -0.0005(7) -0.0020(7)
C28 0.0253(10) 0.0232(10) 0.0198(9) 0.0015(8) 0.0011(8) -0.0052(8)
C32 0.0422(13) 0.0277(11) 0.0216(10) 0.0027(8) 0.0137(9) -0.0030(9)
C25 0.0217(10) 0.0255(10) 0.0330(11) 0.0019(9) 0.0015(8) 0.0025(8)
C24 0.0175(9) 0.0242(10) 0.0237(10) 0.0012(8) 0.0013(8) -0.0009(7)
C29 0.0253(10) 0.0293(11) 0.0242(10) 0.0021(8) 0.0084(8) 0.0054(8)
C30 0.0340(12) 0.0337(12) 0.0342(12) 0.0041(10) 0.0144(10) -0.0007(10)
C31 0.0418(13) 0.0383(13) 0.0370(13) -0.0054(10) 0.0176(11) -0.0002(11)
C33 0.0777(19) 0.0342(13) 0.0231(11) 0.0047(10) 0.0191(12) -0.0042(13)
C34 0.0402(14) 0.0448(14) 0.0457(14) 0.0039(12) 0.0237(12) -0.0010(11)
N1 0.0220(8) 0.0175(8) 0.0142(7) 0.0013(6) 0.0027(6) -0.0015(6)
N2 0.0208(8) 0.0189(8) 0.0163(7) 0.0015(6) 0.0045(6) -0.0007(6)

_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 N2 2.1747(16) . ?
Sn1 N1 2.1802(16) . ?
Sn1 C1 2.214(2) . ?
O2 C3 1.343(3) . ?
O2 C4 1.449(3) . ?
C7 C8 1.396(3) . ?
C7 C6 1.406(3) . ?
C7 H7 0.9500 . ?
C6 N1 1.327(2) . ?
C6 C10 1.509(3) . ?
C1 C2 1.213(3) . ?
C9 C8 1.515(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 N2 1.336(2) . ?
C2 C3 1.447(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C3 O1 1.208(3) . ?
C4 C5 1.495(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C12 C13 1.398(3) . ?
C12 C11 1.403(3) . ?
C12 C17 1.515(3) . ?
C16 C15 1.401(3) . ?
C16 C11 1.403(3) . ?
C16 C20 1.520(3) . ?
C17 C18 1.522(3) . ?
C17 C19 1.529(3) . ?
C17 H17 1.0000 . ?
C15 C14 1.385(3) . ?
C15 H15 0.9500 . ?
C20 C22 1.533(3) . ?
C20 C21 1.540(3) . ?
C20 H20 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C13 C14 1.380(3) . ?
C13 H13 0.9500 . ?
C11 N1 1.450(2) . ?
C14 H14 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C26 C27 1.371(3) . ?
C26 C25 1.388(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.399(3) . ?
C27 H27 0.9500 . ?
C23 C24 1.405(3) . ?
C23 C28 1.406(3) . ?
C23 N2 1.442(2) . ?
C28 C32 1.516(3) . ?
C32 C34 1.534(3) . ?
C32 C33 1.534(3) . ?
C32 H32 1.0000 . ?
C25 C24 1.393(3) . ?
C25 H25 0.9500 . ?
C24 C29 1.522(3) . ?
C29 C31 1.530(3) . ?
C29 C30 1.530(3) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 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
N2 Sn1 N1 86.33(6) . . ?
N2 Sn1 C1 89.13(7) . . ?
N1 Sn1 C1 89.90(7) . . ?
C3 O2 C4 115.64(17) . . ?
C8 C7 C6 128.70(18) . . ?
C8 C7 H7 115.6 . . ?
C6 C7 H7 115.6 . . ?
N1 C6 C7 124.49(17) . . ?
N1 C6 C10 119.25(17) . . ?
C7 C6 C10 116.19(17) . . ?
C2 C1 Sn1 168.83(19) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C8 C7 124.60(17) . . ?
N2 C8 C9 119.00(17) . . ?
C7 C8 C9 116.33(17) . . ?
C1 C2 C3 176.9(2) . . ?
C6 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C6 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O1 C3 O2 124.1(2) . . ?
O1 C3 C2 124.6(2) . . ?
O2 C3 C2 111.32(18) . . ?
O2 C4 C5 107.02(19) . . ?
O2 C4 H4A 110.3 . . ?
C5 C4 H4A 110.3 . . ?
O2 C4 H4B 110.3 . . ?
C5 C4 H4B 110.3 . . ?
H4A C4 H4B 108.6 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C13 C12 C11 118.19(19) . . ?
C13 C12 C17 119.50(18) . . ?
C11 C12 C17 122.29(17) . . ?
C15 C16 C11 117.83(19) . . ?
C15 C16 C20 119.47(18) . . ?
C11 C16 C20 122.67(17) . . ?
C12 C17 C18 113.12(18) . . ?
C12 C17 C19 110.42(18) . . ?
C18 C17 C19 109.9(2) . . ?
C12 C17 H17 107.7 . . ?
C18 C17 H17 107.7 . . ?
C19 C17 H17 107.7 . . ?
C14 C15 C16 121.27(19) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C16 C20 C22 110.84(17) . . ?
C16 C20 C21 111.97(17) . . ?
C22 C20 C21 110.37(17) . . ?
C16 C20 H20 107.8 . . ?
C22 C20 H20 107.8 . . ?
C21 C20 H20 107.8 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C14 C13 C12 121.14(19) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C12 C11 C16 121.65(17) . . ?
C12 C11 N1 118.94(17) . . ?
C16 C11 N1 119.35(17) . . ?
C13 C14 C15 119.91(18) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C27 C26 C25 119.94(19) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 121.5(2) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C24 C23 C28 121.37(18) . . ?
C24 C23 N2 118.41(17) . . ?
C28 C23 N2 120.21(18) . . ?
C27 C28 C23 117.81(19) . . ?
C27 C28 C32 120.69(19) . . ?
C23 C28 C32 121.40(18) . . ?
C28 C32 C34 109.46(18) . . ?
C28 C32 C33 114.0(2) . . ?
C34 C32 C33 110.0(2) . . ?
C28 C32 H32 107.7 . . ?
C34 C32 H32 107.7 . . ?
C33 C32 H32 107.7 . . ?
C26 C25 C24 121.0(2) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C25 C24 C23 118.16(19) . . ?
C25 C24 C29 120.66(19) . . ?
C23 C24 C29 121.17(17) . . ?
C24 C29 C31 112.39(18) . . ?
C24 C29 C30 112.75(17) . . ?
C31 C29 C30 109.95(18) . . ?
C24 C29 H29 107.1 . . ?
C31 C29 H29 107.1 . . ?
C30 C29 H29 107.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C6 N1 C11 120.02(15) . . ?
C6 N1 Sn1 122.62(12) . . ?
C11 N1 Sn1 117.26(11) . . ?
C8 N2 C23 118.77(16) . . ?
C8 N2 Sn1 121.40(13) . . ?
C23 N2 Sn1 119.54(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C7 C6 N1 -19.4(3) . . . . ?
C8 C7 C6 C10 157.6(2) . . . . ?
N2 Sn1 C1 C2 103.7(9) . . . . ?
N1 Sn1 C1 C2 -169.9(9) . . . . ?
C6 C7 C8 N2 13.2(3) . . . . ?
C6 C7 C8 C9 -164.1(2) . . . . ?
Sn1 C1 C2 C3 -66(5) . . . . ?
C4 O2 C3 O1 1.7(3) . . . . ?
C4 O2 C3 C2 -178.34(19) . . . . ?
C1 C2 C3 O1 5(5) . . . . ?
C1 C2 C3 O2 -175(4) . . . . ?
C3 O2 C4 C5 -176.31(19) . . . . ?
C13 C12 C17 C18 -56.5(3) . . . . ?
C11 C12 C17 C18 125.2(2) . . . . ?
C13 C12 C17 C19 67.1(2) . . . . ?
C11 C12 C17 C19 -111.1(2) . . . . ?
C11 C16 C15 C14 0.5(3) . . . . ?
C20 C16 C15 C14 178.81(19) . . . . ?
C15 C16 C20 C22 -72.0(2) . . . . ?
C11 C16 C20 C22 106.2(2) . . . . ?
C15 C16 C20 C21 51.7(2) . . . . ?
C11 C16 C20 C21 -130.10(19) . . . . ?
C11 C12 C13 C14 0.5(3) . . . . ?
C17 C12 C13 C14 -177.89(18) . . . . ?
C13 C12 C11 C16 -0.1(3) . . . . ?
C17 C12 C11 C16 178.18(18) . . . . ?
C13 C12 C11 N1 -177.54(17) . . . . ?
C17 C12 C11 N1 0.8(3) . . . . ?
C15 C16 C11 C12 -0.3(3) . . . . ?
C20 C16 C11 C12 -178.58(18) . . . . ?
C15 C16 C11 N1 177.05(17) . . . . ?
C20 C16 C11 N1 -1.2(3) . . . . ?
C12 C13 C14 C15 -0.3(3) . . . . ?
C16 C15 C14 C13 -0.2(3) . . . . ?
C25 C26 C27 C28 2.4(3) . . . . ?
C26 C27 C28 C23 0.7(3) . . . . ?
C26 C27 C28 C32 -175.63(19) . . . . ?
C24 C23 C28 C27 -4.2(3) . . . . ?
N2 C23 C28 C27 176.31(17) . . . . ?
C24 C23 C28 C32 172.10(18) . . . . ?
N2 C23 C28 C32 -7.3(3) . . . . ?
C27 C28 C32 C34 81.2(2) . . . . ?
C23 C28 C32 C34 -95.0(2) . . . . ?
C27 C28 C32 C33 -42.4(3) . . . . ?
C23 C28 C32 C33 141.3(2) . . . . ?
C27 C26 C25 C24 -2.2(3) . . . . ?
C26 C25 C24 C23 -1.2(3) . . . . ?
C26 C25 C24 C29 177.75(19) . . . . ?
C28 C23 C24 C25 4.5(3) . . . . ?
N2 C23 C24 C25 -176.06(17) . . . . ?
C28 C23 C24 C29 -174.50(18) . . . . ?
N2 C23 C24 C29 5.0(3) . . . . ?
C25 C24 C29 C31 -27.2(3) . . . . ?
C23 C24 C29 C31 151.79(19) . . . . ?
C25 C24 C29 C30 97.8(2) . . . . ?
C23 C24 C29 C30 -83.3(2) . . . . ?
C7 C6 N1 C11 174.21(18) . . . . ?
C10 C6 N1 C11 -2.7(3) . . . . ?
C7 C6 N1 Sn1 -9.5(3) . . . . ?
C10 C6 N1 Sn1 173.65(14) . . . . ?
C12 C11 N1 C6 -97.5(2) . . . . ?
C16 C11 N1 C6 85.0(2) . . . . ?
C12 C11 N1 Sn1 85.97(18) . . . . ?
C16 C11 N1 Sn1 -91.49(18) . . . . ?
N2 Sn1 N1 C6 27.78(15) . . . . ?
C1 Sn1 N1 C6 -61.35(15) . . . . ?
N2 Sn1 N1 C11 -155.82(14) . . . . ?
C1 Sn1 N1 C11 115.05(14) . . . . ?
C7 C8 N2 C23 -166.11(18) . . . . ?
C9 C8 N2 C23 11.0(3) . . . . ?
C7 C8 N2 Sn1 20.1(3) . . . . ?
C9 C8 N2 Sn1 -162.71(14) . . . . ?
C24 C23 N2 C8 94.0(2) . . . . ?
C28 C23 N2 C8 -86.5(2) . . . . ?
C24 C23 N2 Sn1 -92.09(18) . . . . ?
C28 C23 N2 Sn1 87.37(19) . . . . ?
N1 Sn1 N2 C8 -32.69(14) . . . . ?
C1 Sn1 N2 C8 57.27(15) . . . . ?
N1 Sn1 N2 C23 153.61(14) . . . . ?
C1 Sn1 N2 C23 -116.43(14) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.73
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.057

#===END