Reaction of Tin(II) Hydride with Compounds Containing Aromatic C−F Bonds†
Jana, Anukul; Roesky, Herbert W.; Schulzke, Carola; Samuel, Prinson P.; Organometallics 29 (2010) 4837–; doi:10.1021/om1000106

data_4065584
_publ_section_title
;
 Reaction of Tin(II) Hydride with Compounds Containing Aromatic C&#x2212;F
 Bonds&#x2020;
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4837
_journal_paper_doi               10.1021/om1000106
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C36 H43 F5 N2 O Sn'
_chemical_formula_weight         733.41
_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                82.25(3)
_cell_angle_beta                 72.91(3)
_cell_angle_gamma                71.68(3)
_cell_formula_units_Z            2
_cell_length_a                   12.074(2)
_cell_length_b                   12.398(3)
_cell_length_c                   12.821(3)
_cell_measurement_reflns_used    16667
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      54.06
_cell_measurement_theta_min      3.32
_cell_volume                     1739.6(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  IPDSII
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16667
_diffrn_reflns_theta_full        27.03
_diffrn_reflns_theta_max         27.03
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.9064
_exptl_absorpt_correction_T_min  0.8032
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.964
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         7535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0370P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0568
_reflns_number_gt                6724
_reflns_number_total             7535
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om1000106_si_002.cif
_cod_data_source_block           ja64
_cod_original_cell_volume        1739.6(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065584