Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives
Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh; Inorganic Chemistry 40 (2001) 1206–1212; doi:10.1021/ic0004277

data_4319336
_publ_section_title
;
 Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and
 Antimony(V). Contrasting Chemical Reactivity with Organic Halogen
 Derivatives
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1206
_journal_page_last               1212
_journal_paper_doi               10.1021/ic0004277
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C18 H20 Cl2 Cr2 N O10 Sb'
_chemical_formula_weight         707.00
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.9041(3)
_cell_length_b                   13.1714(4)
_cell_length_c                   35.6497(7)
_cell_measurement_reflns_used    5530
_cell_measurement_temperature    296(2)
_cell_volume                     5589.6(2)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_device       'Siemens SMART CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            19684
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    1.961
_exptl_absorpt_correction_T_max  0.492
_exptl_absorpt_correction_T_min  0.363
_exptl_absorpt_correction_type   'used SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_meas      ?
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .3
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.468
_refine_diff_density_rms         0.074
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.146
_refine_ls_goodness_of_fit_obs   1.118
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         4827
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.157
_refine_ls_restrained_S_obs      1.118
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_obs          0.0369
_refine_ls_shift/esd_max         0.016
_refine_ls_shift/esd_mean        0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+5.7698P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1098
_refine_ls_wR_factor_obs         0.0998
_reflns_number_observed          4401
_reflns_number_total             4912
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic0004277_5.cif
_cod_data_source_block           '[Et4N][VII]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+5.7698P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.0567P)^2^+5.7698P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               4319336