Bis(ethylxanthato)phenylantimony(III)
Blake, Alexander J.; Pearson, Matthew; Sowerby, D. Bryan; Woodhead, Peter P.; Acta Crystallographica Section C 53 (1997) 583–585; doi:10.1107/S0108270197000620

data_2006131
_publ_section_title
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 Bis(ethylxanthato)phenylantimony(III)
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_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              583
_journal_page_last               585
_journal_paper_doi               10.1107/S0108270197000620
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Sb (C6 H5) (C3 H5 O1 S2)2]'
_chemical_formula_sum            'C12 H15 O2 S4 Sb'
_chemical_formula_weight         441.23
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                84.24(4)
_cell_angle_beta                 84.20(4)
_cell_angle_gamma                77.85(5)
_cell_formula_units_Z            2
_cell_length_a                   5.795(4)
_cell_length_b                   9.059(4)
_cell_length_c                   16.081(7)
_cell_measurement_reflns_used    31
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      12
_cell_volume                     818.3(8)
_computing_cell_refinement       STADI-4
_computing_data_collection       'STADI-4 (Stoe & Cie, 1995a)'
_computing_data_reduction        'X-RED (Stoe & Cie, 1995b)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1994)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(2)
_diffrn_measurement_device       'Stoe Stadi-4 four-circle'
_diffrn_measurement_method       \w-2\q
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0179
_diffrn_reflns_limit_h_max       6
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_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
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_diffrn_reflns_theta_min         2.54
_diffrn_standards_decay_%        'intensity variation: +-2.0%'
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.190
_exptl_absorpt_correction_T_max  0.636
_exptl_absorpt_correction_T_min  0.415
_exptl_absorpt_correction_type   '\y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.50
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_refine_diff_density_min         -0.28
_refine_ls_extinction_coef       0.0012(2)
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_refine_ls_hydrogen_treatment    'H atoms: riding model'
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_refine_ls_R_factor_obs          .0190
_refine_ls_shift/esd_max         0.003
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.013)^2^+0.81P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0417
_refine_ls_wR_factor_obs         .0392
_reflns_number_observed          2679
_reflns_number_total             2879
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            mu1305.cif
_cod_data_source_block           sbxane
_cod_depositor_comments
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The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (15 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (15
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (26
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.013)^2^+0.81P] 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^)+(0.013)^2^+0.81P] where P = (Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        818.3(9)
_cod_database_code               2006131