Facile Access of Stable Divalent Tin Compounds with Terminal Methyl, Amide, Fluoride, and Iodide Substituents
Herbert W. Roesky; Anukul Jana; Carola Schulzke; Alexander Döring; Tobias Beck; Aritra Pal; Regine Herbst-Irmer; Inorganic Chemistry 48 (2009) 193–197; doi:10.1021/ic8015639

data_4301110
_publ_contact_author_address
;Institut f\"ur Anorganische Chemie
der Georg-August-Universit\"at G\"ottingen
Tammannstr. 4, 37077 G\"ottingen, Germany
;
_publ_contact_author_email       hroesky@gwdg.de
_publ_contact_author_fax         +49-551-393373
_publ_contact_author_name        'Herbert W. Roesky'
_publ_contact_author_phone       +49-551-393001
_publ_section_title
;
Facile Access of Stable Divalent Tin Compounds with Terminal Methyl, Amide,
Fluoride, and Iodide Substituents
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              193
_journal_page_last               197
_journal_paper_doi               10.1021/ic8015639
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C35 H59 N3 Si2 Sn'
_chemical_formula_sum            'C35 H59 N3 Si2 Sn'
_chemical_formula_weight         696.72
_chemical_name_common            3
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.796(2)
_cell_length_b                   20.099(3)
_cell_length_c                   12.471(2)
_cell_measurement_reflns_used    9330
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      59.857
_cell_measurement_theta_min      2.198
_cell_volume                     3708.7(10)
_computing_cell_refinement       'Bruker AXS SAINT (v 7.01A, Bruker 2003)'
_computing_data_collection       'Proteum (v 1.40, Bruker 2002)'
_computing_data_reduction        'Bruker AXS SAINT (v 7.01A, Bruker 2003)'
_computing_molecular_graphics    'Bruker AXS SHELXTL (v 6.12)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.602
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker three circle diffractometer'
_diffrn_measurement_method       'phi and omega scan'
_diffrn_radiation_monochromator  'mirror system'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0782
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            34632
_diffrn_reflns_theta_full        60.22
_diffrn_reflns_theta_max         60.22
_diffrn_reflns_theta_min         4.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.282
_exptl_absorpt_correction_T_max  0.5723
_exptl_absorpt_correction_T_min  0.4525
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         2837
_refine_ls_number_restraints     524
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0264P)^2^+18.8690P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1119
_reflns_number_gt                2491
_reflns_number_total             2837
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8015639_si_002_3.cif
_cod_data_source_block           comp3
_cod_database_code               4301110