Cleavage of Si???Ar bond vs Si???Me bond: a remarkable counterion effect on reactivityElectronic supplementary information (ESI) available: spectroscopic data and experimental section. See http://www.rsc.org/suppdata/cc/b2/b205373j/
Tipparaju, Suresh Kumar; Mandal, Sunil K.; Sur, Surojit; Puranik, Vedavati G.; Sarkar, Amitabha; Chemical Communications  (2002) 1924–; doi:10.1039/b205373j

data_7114474
_publ_section_title
;
 Cleavage of Si???Ar bond vs Si???Me bond: a remarkable counterion effect
 on reactivityElectronic supplementary information (ESI) available:
 spectroscopic data and experimental section. See
 http://www.rsc.org/suppdata/cc/b2/b205373j/
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1924
_journal_paper_doi               10.1039/b205373j
_journal_year                    2002
_chemical_formula_moiety         'C23 H22 Cr O4 Si'
_chemical_formula_sum            'C23 H22 Cr O4 Si'
_chemical_formula_weight         442.50
_chemical_name_common            'Chromoum Complex'
_chemical_name_systematic
; 
? 
;
_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                90.000(11)
_cell_angle_beta                 107.161(11)
_cell_angle_gamma                90.000(9)
_cell_formula_units_Z            4
_cell_length_a                   12.4880(16)
_cell_length_b                   9.1030(9)
_cell_length_c                   20.682(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      9
_cell_volume                     2246.4(5)
_computing_cell_refinement       'Enraf-Nonius MACH-3'
_computing_data_collection       'Enraf-Nonius MACH-3'
_computing_data_reduction        MACH-3
_computing_molecular_graphics    ORTEP
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.900
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measurement_device_type  MACH-3
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            3546
_diffrn_reflns_theta_full        24.91
_diffrn_reflns_theta_max         24.91
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        <4%
_diffrn_standards_interval_count '1 Hr'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.587
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.271
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       0.0091(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0412P)^2^+0.9471P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0811
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                3045
_reflns_number_total             3546
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b205373j.txt
_cod_data_source_block           C23H22CrO4Si
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7114474