The First Isolable Dialkylsilylene
Mitsuo Kira; Shintaro Ishida; Takeaki Iwamoto; Chizuko Kabuto; Journal of the American Chemical Society 121 (1999) 9722–9723; doi:10.1021/ja9925305

data_4116562
_publ_section_title
;
 The First Isolable Dialkylsilylene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9722
_journal_page_last               9723
_journal_paper_doi               10.1021/ja9925305
_journal_volume                  121
_journal_year                    1999
_chemical_formula_moiety         'C16 H40 Si5 '
_chemical_formula_sum            'C16 H40 Si5'
_chemical_formula_weight         372.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Mon Dec 14 13:25:35 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 113.28(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.483(3)
_cell_length_b                   11.304(4)
_cell_length_c                   16.667(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      22.4
_cell_volume                     2333.4(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      150.2
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.05042
_diffrn_orient_matrix_UB_12      -0.05650
_diffrn_orient_matrix_UB_13      0.01087
_diffrn_orient_matrix_UB_21      -0.01736
_diffrn_orient_matrix_UB_22      -0.03655
_diffrn_orient_matrix_UB_23      -0.05864
_diffrn_orient_matrix_UB_31      0.06061
_diffrn_orient_matrix_UB_32      -0.05740
_diffrn_orient_matrix_UB_33      0.02663
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.009
_diffrn_reflns_av_sigmaI/netI    0.034
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6452
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         1.64
_diffrn_standards_decay_%        1.50
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.301
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.970
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.061
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             824.00
_exptl_crystal_size_max          0.601
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.400
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.079
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     350
_refine_ls_number_reflns         4909
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0020
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_gt          0.0359
_refine_ls_wR_factor_ref         0.0358
_reflns_number_gt                4909
_reflns_number_total             6204
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja9925305.cif
_cod_data_source_block           kira987-ishida
_cod_original_cell_volume        2333.3(9)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C16 H40 Si5 '
_cod_database_code               4116562