Kinetic Stabilization of Primary Hydrides of Main Group Elements. The Synthesis of an Air-Stable, Crystalline Arsine and Silane
Marcin Brynda; Gérald Bernardinelli; Cosmina Dutan; Michel Geoffroy; Inorganic Chemistry 42 (2003) 6586–6588; doi:10.1021/ic034367r

data_4312325
_publ_contact_author
;
     Dr Gerald Bernardinelli
     Laboratoire de Cristallographie
     Universite de Geneve
     24, quai E. Ansermet
     CH - 1211 Geneve 4
     Switzerland
;
_publ_contact_author_email       gerald.bernardinelli@cryst.unige.ch
_publ_contact_author_fax         '(+[41] 22) 702 61 08'
_publ_contact_author_phone       '(+[41] 22) 702 62 02'
_publ_section_title
;
 Kinetic Stabilization of Primary Hydrides of Main Group Elements. The
 Synthesis of an Air-Stable, Crystalline Arsine and Silane
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6586
_journal_page_last               6588
_journal_paper_doi               10.1021/ic034367r
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C20 H16 Si'
_chemical_formula_sum            'C20 H16 Si'
_chemical_formula_weight         284.5
_chemical_name_common
;
9-silanyltriptycene
;
_chemical_name_systematic
;
tribenzobarellenesilane
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.0.1
_audit_creation_date             2002-07-08
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2003-06-05
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            6
_cell_length_a                   11.8394(8)
_cell_length_b                   11.8394(8)
_cell_length_c                   17.4685(15)
_cell_measurement_reflns_used    6956
_cell_measurement_temperature    200
_cell_measurement_theta_max      25.77
_cell_measurement_theta_min      2.35
_cell_volume                     2120.5(3)
_computing_cell_refinement       'CELL (Stoe & Cie, 1999)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 1999)'
_computing_data_reduction        'XRED (Stoe & Cie, 1999)'
_computing_molecular_graphics    xtal_gx3
_computing_publication_material  xtal_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .061
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8598
_diffrn_reflns_theta_max         25.77
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .157
_exptl_absorpt_correction_T_max  .9801
_exptl_absorpt_correction_T_min  .9591
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .33
_exptl_crystal_size_mid          .24
_exptl_crystal_size_min          .19
_refine_diff_density_max         .504
_refine_diff_density_min         -.542
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       .00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.48
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     88
_refine_ls_number_reflns         541
_refine_ls_R_factor_gt           .032
_refine_ls_shift/su_max          .0014
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.00015(Fo^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .031
_reflns_number_gt                498
_reflns_number_total             904
_reflns_threshold_expression     'refl observed if Fo > 3.99 \s(Fo)'
_cod_data_source_file            ic034367rrom20030623_024457.cif
_cod_data_source_block           MASI
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2120.5(4)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4312325