Bis(triphenylsilyl)phenylarsenite, PhAs(OSiPh~3~)~2~
Ferguson, George; O'Leary, Brian J.; Spalding, Trevor R.; Acta Crystallographica Section E 60 (2004) m118–m120; doi:10.1107/S1600536803028447

data_2203080
_publ_section_title
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 Bis(triphenylsilyl)phenylarsenite, PhAs(OSiPh~3~)~2~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m118
_journal_page_last               m120
_journal_paper_doi               10.1107/S1600536803028447
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[As (C6 H5) (C18 H15 O Si)2]'
_chemical_formula_moiety         'C42 H35 As O2 Si2'
_chemical_formula_sum            'C42 H35 As O2 Si2'
_chemical_formula_weight         702.80
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 91.124(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8563(14)
_cell_length_b                   11.3662(15)
_cell_length_c                   32.868(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.0(10)
_cell_measurement_theta_max      17.6
_cell_measurement_theta_min      8.1
_cell_volume                     3681.5(8)
_computing_cell_refinement       'SET4 and CELDIM (Enraf-Nonius, 1992)'
_computing_data_collection       'CAD-4-PC Software (Enraf-Nonius, 1992)'
_computing_data_reduction        'DATRD2 in NRCVAX94 (Gabe et al., 1989)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement
'SHELXL97 (Sheldrick, 1993) and WinGX (Farrugia, 1997)'
_computing_structure_solution    'SOLVER in NRCVAX94'
_diffrn_ambient_temperature      294.0(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_av_sigmaI/netI    0.2197
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8126
_diffrn_reflns_theta_full        26.88
_diffrn_reflns_theta_max         27
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        2.3
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_T_max  0.7499
_exptl_absorpt_correction_T_min  0.6396
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.668
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.878
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         7995
_refine_ls_number_restraints     772
_refine_ls_restrained_S_all      0.851
_refine_ls_R_factor_all          0.2156
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0874P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1493
_refine_ls_wR_factor_ref         0.1852
_reflns_number_gt                2602
_reflns_number_total             7995
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6153.cif
_cod_data_source_block           I
_cod_original_cell_volume        3681.4(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2203080
_cod_database_fobs_code          2203080