Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid
Heaton, S. B.; Jones, G. B.; Pennington, W. T.; Acta Crystallographica Section C 49 (1993) 1749–1753; doi:10.1107/S0108270193003026

data_2001291
_publ_section_title
;
 Preparation of chiral tricarbonyl(\h^6^-arene)chromium(0) complexes
 derived from (<i>S</i>)-2-indolinecarboxylic acid
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1749
_journal_page_last               1753
_journal_paper_doi               10.1107/S0108270193003026
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C19 H25 Cr N O5 Si'
_chemical_formula_weight         427.49
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.327(4)
_cell_length_b                   11.306(3)
_cell_length_c                   18.427(6)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    294
_cell_measurement_theta_max      20
_cell_measurement_theta_min      14
_cell_volume                     2151.5(12)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1646
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.60
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.97
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_description       Parallelepiped
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.29
_refine_diff_density_min         -0.16
_refine_ls_goodness_of_fit_obs   1.51
_refine_ls_number_parameters     243
_refine_ls_number_reflns         1426
_refine_ls_R_factor_obs          0.0383
_refine_ls_shift/esd_max         0.007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0485
_reflns_number_observed          1426
_reflns_number_total             1646
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            st1037.cif
_cod_data_source_block           st1037_structure_1_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0005F^2^]'
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) +
0.0005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2152.0(10)
_cod_original_formula_sum        'C19 H25 Cr1 N1 O5 Si'
_cod_database_code               2001291