Ferrocenyltriphenylsilane
Palmer, R. T.; Radonovich, L. J.; McCormick, F. B.; Acta Crystallographica Section C 50 (1994) 1199–1201; doi:10.1107/S0108270193014192

data_2009942
_publ_section_title
;
 Ferrocenyltriphenylsilane
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1199
_journal_page_last               1201
_journal_paper_doi               10.1107/S0108270193014192
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C28 H24 Fe Si'
_chemical_formula_weight         444.43
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 78.963(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.468(2)
_cell_length_b                   13.725(3)
_cell_length_c                   17.341(4)
_cell_measurement_reflns_used    17
_cell_measurement_temperature    294
_cell_measurement_theta_max      18.24
_cell_measurement_theta_min      9.53
_cell_volume                     2211.8(8)
_diffrn_measurement_device       'Picker four circle'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6624
_diffrn_reflns_theta_max         29.33
_diffrn_standards_decay_%        '< 3\% in 129.9 h'
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.8948
_exptl_absorpt_correction_T_min  0.7920
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.33
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.26
_refine_diff_density_min         -1.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.594
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3685
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.027
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.050
_reflns_number_observed          3685
_reflns_number_total             6046
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            cr1084.cif
_cod_data_source_block           cr1084_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F~o~)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2211.79
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C28 H24 Fe1 Si'
_cod_database_code               2009942