Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols
Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš; Organometallics 32 (2013) 2398–; doi:10.1021/om400123y

data_4080599
_publ_section_title
;
 Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and
 Silanols
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2398
_journal_paper_doi               10.1021/om400123y
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C36 H39 Cl N2 O2 Si Sn'
_chemical_formula_sum            'C36 H39 Cl N2 O2 Si Sn'
_chemical_formula_weight         713.92
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 102.760(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.7321(13)
_cell_length_b                   8.9551(5)
_cell_length_c                   21.8382(18)
_cell_measurement_reflns_used    33744
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      26.3
_cell_measurement_theta_min      1
_cell_volume                     3382.1(4)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0835
_diffrn_reflns_av_sigmaI/netI    0.0567
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31557
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.13
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.904
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.038
_refine_diff_density_min         -2.118
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6788
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.1209
_refine_ls_R_factor_gt           0.0942
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0563P)^2^+39.4301P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2147
_refine_ls_wR_factor_ref         0.2295
_reflns_number_gt                5265
_reflns_number_total             6788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400123y_si_002.cif
_cod_data_source_block           shelxl4
_cod_original_cell_volume        3382.0(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4080599