Hexa-, Hepta-, and Octacyclic Ladder Polysilanes
Kyushin, Soichiro; Ueta, Yoshinori; Tanaka, Ryoji; Matsumoto, Hideyuki; Chemistry Letters 35 (2006) 182–; doi:10.1246/cl.2006.182

data_8000101
_publ_section_title
;
 Hexa-, Hepta-, and Octacyclic Ladder Polysilanes
;
_journal_issue                   2
_journal_name_full               'Chemistry Letters'
_journal_page_first              182
_journal_paper_doi               10.1246/cl.2006.182
_journal_volume                  35
_journal_year                    2006
_chemical_formula_moiety         'C66 H154 Si18, 2(C5 H12)'
_chemical_formula_sum            'C76 H178 Si18'
_chemical_formula_weight         1597.77
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.628(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.053(2)
_cell_length_b                   16.1238(8)
_cell_length_c                   24.232(2)
_cell_measurement_reflns_used    30741
_cell_measurement_temperature    113
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.5
_cell_volume                     10353.0(13)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.11'
_computing_structure_solution    SHELXS86
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            37189
_diffrn_reflns_theta_full        28.3
_diffrn_reflns_theta_max         28.3
_exptl_absorpt_coefficient_mu    0.253
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(R. Jacobson, private communication, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.025
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.72
_refine_diff_density_min         -0.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.96
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     424
_refine_ls_number_reflns         12516
_refine_ls_R_factor_gt           0.045
_refine_ls_shift/su_max          0.0012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.144
_reflns_number_gt                11052
_reflns_number_total             12516
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            35-182sup1.cif
_cod_data_source_block           all-anti-(i-Pr)22Si18+2C5H12
_cod_original_cell_volume        10353(1)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8000101