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_4319334
_publ_section_title
;
 Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and
 Antimony(V). Contrasting Chemical Reactivity with Organic Halogen
 Derivatives
;
_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_moiety         'C15 H Cr3 O15 Sb 2 C8 H20 N'
_chemical_formula_sum            'C31 H41 Cr3 N2 O15 Sb'
_chemical_formula_weight         959.40
_chemical_name_systematic        ?
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2b 2ac'
_symmetry_space_group_name_H-M   'P c n b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   13.224(5)
_cell_length_b                   23.477(3)
_cell_length_c                   26.754(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13.94
_cell_measurement_theta_min      10.25
_cell_volume                     8306(4)
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8134
_diffrn_reflns_theta_max         25.91
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        8%
_diffrn_standards_interval_count 300
_diffrn_standards_interval_time  7200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.47
_exptl_absorpt_correction_T_max  0.7184
_exptl_absorpt_correction_T_min  0.5825
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_F_000             3877.58
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.35
_refine_diff_density_min         -1.26
_refine_ls_goodness_of_fit_obs   2.05
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         3691
_refine_ls_R_factor_all          0.164
_refine_ls_R_factor_obs          0.057
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.051
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          3691
_reflns_number_total             8134
_reflns_observed_criterion       'Inet > 2.0\s(Inet)'
_cod_data_source_file            ic0004277_3.cif
_cod_data_source_block           ?
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 53 times.

'_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:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C31 H41 Cr3 N2 O15 Sb '
_cod_database_code               4319334