[Bu4P]+Cl−-Catalyzed Reactions of Trichlorosilane and Dichloromethylsilane with Vinyltrichlorosilane: New Synthetic Method for 1,1,4,4-Tetrachloro-2,5-bis(trichlorosilyl)-1,4-disilacyclohexane Compounds
Hong, Soon Hyun; Hyun, Sang Il; Jung, Il Nam; Han, Won-Sik; Kim, Min-Hye; Yun, Hoseop; Nam, Suk-Woo; Kang, Sang Ook; Organometallics 29 (2010) 3054–; doi:10.1021/om100039b

data_4065627
_publ_section_title
;
 [Bu4P]+Cl&#x2212;-Catalyzed Reactions of Trichlorosilane and
 Dichloromethylsilane with Vinyltrichlorosilane: New Synthetic Method for
 1,1,4,4-Tetrachloro-2,5-bis(trichlorosilyl)-1,4-disilacyclohexane
 Compounds
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3054
_journal_paper_doi               10.1021/om100039b
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C H1.5 Cl2.5 Si'
_chemical_formula_weight         130.24
_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                89.363(3)
_cell_angle_beta                 80.569(3)
_cell_angle_gamma                78.809(2)
_cell_formula_units_Z            4
_cell_length_a                   6.1896(5)
_cell_length_b                   8.3969(7)
_cell_length_c                   9.0412(9)
_cell_measurement_temperature    293(2)
_cell_volume                     454.63(7)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku R-axis Rapid S diffractometer'
_diffrn_measurement_method       \w-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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4423
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.33
_exptl_absorpt_coefficient_mu    1.775
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             256
_refine_diff_density_max         1.321
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_reflns         2047
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0394
_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^)+(0.0489P)^2^+0.6099P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1103
_reflns_number_gt                1772
_reflns_number_total             2047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100039b_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        454.64(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C H1.50 Cl2.50 Si'
_cod_database_code               4065627