Samarium-Mediated Tandem Reactions ofo-Carborane. Synthesis and Molecular Structure of [{η5:η1:η6-Me2Si(C9H5CH2CH2G)(C2B10H10)Sm}2(μ-Cl)][Li(THF)4] (G = NMe2and OMe)
Wang, Shaowu; Li, Hung-Wing; Xie, Zuowei; Organometallics 20 (2001) 3624–; doi:10.1021/om010157f

data_4077309
_publ_section_title
;
 Samarium-Mediated Tandem Reactions ofo-Carborane. Synthesis and Molecular
 Structure of
 [{\h5:\h1:\h6-Me2Si(C9H5CH2CH2G)(C2B10H10)Sm}2(\m-Cl)][Li(THF)4] (G =
 NMe2and OMe)
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              3624
_journal_paper_doi               10.1021/om010157f
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C48 H88 B20 Cl Li O6 Si2 Sm2'
_chemical_formula_weight         1376.65
_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                 93.04(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.181(10)
_cell_length_b                   21.06(4)
_cell_length_c                   33.39(6)
_cell_measurement_temperature    293(2)
_cell_volume                     7149(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.3217
_diffrn_reflns_av_sigmaI/netI    0.6659
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            19930
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.737
_exptl_absorpt_correction_T_max  0.9661
_exptl_absorpt_correction_T_min  0.8455
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.257
_refine_diff_density_min         -1.742
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       0.0055(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   0.807
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         9156
_refine_ls_number_restraints     714
_refine_ls_restrained_S_all      0.793
_refine_ls_R_factor_all          0.3176
_refine_ls_R_factor_gt           0.0881
_refine_ls_shift/su_max          6.842
_refine_ls_shift/su_mean         0.039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0596P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1810
_refine_ls_wR_factor_ref         0.2617
_reflns_number_gt                2117
_reflns_number_total             9156
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010157f.cif
_cod_data_source_block           compound_2
_cod_original_cell_volume        7148(19)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4077309