Synthesis of benzo[h]quinoline-based neutral pentacoordinate organosilicon complexes
Yuichiro Tokoro; Hyeonuk Yeo; Kazuo Tanaka; Yoshiki Chujo; Chem.Commun. 48 (2012) 8541–; doi:10.1039/c2cc34440h

data_7108194
_publ_section_title
;
 Synthesis of benzo[h]quinoline-based neutral pentacoordinate
 organosilicon complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              8541
_journal_paper_doi               10.1039/c2cc34440h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C30 H21 N Si'
_chemical_formula_weight         423.57
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.882(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   13.1959(11)
_cell_length_b                   19.4826(15)
_cell_length_c                   35.670(3)
_cell_measurement_temperature    296(2)
_cell_volume                     9158.8(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1032
_diffrn_reflns_av_sigmaI/netI    0.1139
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            61046
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.120
_exptl_absorpt_correction_T_max  0.9881
_exptl_absorpt_correction_T_min  0.9881
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3552
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1467
_refine_ls_number_reflns         15829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.1340
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0781P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1627
_reflns_number_gt                8260
_reflns_number_total             15829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc34440h.txt
_cod_data_source_block           4
_cod_original_cell_volume        9158.8(12)
_cod_original_sg_symbol_H-M      P_21/n
_cod_database_code               7108194