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_4301111
_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_sum            'C29 H41 F N2 Sn'
_chemical_formula_weight         555.33
_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                90.00
_cell_angle_beta                 89.92(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0047(18)
_cell_length_b                   9.6328(19)
_cell_length_c                   32.308(6)
_cell_measurement_reflns_used    21699
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      51.3
_cell_measurement_theta_min      2.5
_cell_volume                     2802.4(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  IPDS2
_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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            20990
_diffrn_reflns_theta_full        25.63
_diffrn_reflns_theta_max         25.63
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.936
_exptl_absorpt_correction_T_max  0.9720
_exptl_absorpt_correction_T_min  0.7679
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.640
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         5251
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0350
_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^)+(0.0570P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                4146
_reflns_number_total             5251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8015639_si_002_4.cif
_cod_data_source_block           comp4
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301111