Trichlorido(<i>N</i>,<i>N</i>'-di-tert-butylbenzamidinato-κ^2^<i>N</i>,<i>N</i>')silicon
Lv, Lu-Dan; Li, Jun-Jun; Yang, Wei; Ren, Chun-Xia; Ding, Yu-Qiang; Acta Crystallographica Section E 64 (2008) o870–; doi:10.1107/S1600536808010398

data_2218091
_publ_section_title
Trichlorido(<i>N</i>,<i>N</i>'-di-tert-butylbenzamidinato-\k^2^<i>N</i>,<i>N</i>')silicon
_journal_coeditor_code           CV2396
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o870
_journal_paper_doi               10.1107/S1600536808010398
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C15 H23 Cl3 N2 Si'
_chemical_formula_moiety         'C15 H23 Cl3 N2 Si'
_chemical_formula_sum            'C15 H23 Cl3 N2 Si'
_chemical_formula_weight         365.80
_chemical_name_systematic
;Trichlorido(<i>N</i>,<i>N</i>'-di-tert-butylbenzamidinato-
\k^2^<i>N</i>,<i>N</i>')silicon
;
_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                83.222(6)
_cell_angle_beta                 83.227(6)
_cell_angle_gamma                84.189(6)
_cell_formula_units_Z            2
_cell_length_a                   6.372(3)
_cell_length_b                   10.278(4)
_cell_length_c                   14.229(6)
_cell_measurement_reflns_used    1365
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      2.00
_cell_volume                     915.3(7)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4535
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.562
_exptl_absorpt_correction_T_max  0.9205
_exptl_absorpt_correction_T_min  0.8277
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             384
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.434
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0526
_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^)+(0.102P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1488
_refine_ls_wR_factor_ref         0.1591
_reflns_number_gt                2189
_reflns_number_total             3166
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2396.cif
_cod_data_source_block           I
_cod_database_code               2218091
_cod_database_fobs_code          2218091