A novel α,ω silyl dianionic salt. The synthesis and characterization of remotely connected benzannulated silole monoanions
Choi, Seok-Bong; Boudjouk, Philip; Journal of the Chemical Society, Dalton Transactions  (2000) 841–; doi:10.1039/a906915a

data_7008913
_publ_section_title
;
 A novel \a,\w silyl dianionic salt. The synthesis and characterization
 of remotely connected benzannulated silole monoanions
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              841
_journal_paper_doi               10.1039/a906915a
_journal_year                    2000
_chemical_formula_sum            'C19 H20 Cl Si'
_chemical_formula_weight         311.89
_space_group_IT_number           2
_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                98.377(2)
_cell_angle_beta                 112.958(2)
_cell_angle_gamma                96.817(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9575(10)
_cell_length_b                   9.4809(11)
_cell_length_c                   11.2364(13)
_cell_measurement_temperature    298(2)
_cell_volume                     853.00(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.901
_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  0.1995
_diffrn_reflns_av_sigmaI/netI    0.1164
_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       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3754
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.286
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             330
_refine_diff_density_max         0.661
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       0.012(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   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1135
_refine_ls_R_factor_gt           0.0696
_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^)+(0.0462P)^2^+2.3558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1520
_refine_ls_wR_factor_ref         0.1913
_reflns_number_gt                1988
_reflns_number_total             2724
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a906915a.txt
_cod_data_source_block           j
_cod_database_code               7008913