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_4301108
_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         'C29 H41 I N2 Sn'
_chemical_formula_sum            'C29 H41 I N2 Sn'
_chemical_formula_weight         663.23
_chemical_name_common            5
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.43(2)
_cell_angle_beta                 72.42(2)
_cell_angle_gamma                70.58(2)
_cell_formula_units_Z            2
_cell_length_a                   10.438(2)
_cell_length_b                   12.140(3)
_cell_length_c                   12.365(3)
_cell_measurement_reflns_used    7467
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      60.308
_cell_measurement_theta_min      3.768
_cell_volume                     1401.5(6)
_computing_cell_refinement       'Bruker AXS SAINT (v 7.45A, Bruker 2007)'
_computing_data_collection       'Proteum (v 1.40, Bruker 2002)'
_computing_data_reduction        'Bruker AXS SAINT (v 7.45A, Bruker 2007)'
_computing_molecular_graphics    'Bruker AXS SHELXTL (v 2008)'
_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 0.953
_diffrn_measured_fraction_theta_max 0.953
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4228
_diffrn_reflns_theta_full        60.45
_diffrn_reflns_theta_max         60.45
_diffrn_reflns_theta_min         3.77
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    16.022
_exptl_absorpt_correction_T_max  0.2972
_exptl_absorpt_correction_T_min  0.1419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.434
_refine_diff_density_min         -1.984
_refine_diff_density_rms         0.204
_refine_ls_extinction_coef       0.0023(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         4228
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0550
_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^)+(0.1411P)^2^+2.0093P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
_refine_ls_wR_factor_ref         0.1833
_reflns_number_gt                4137
_reflns_number_total             4228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8015639_si_002_1.cif
_cod_data_source_block           comp5
_cod_original_cell_volume        1401.6(6)
_cod_database_code               4301108