(Benzenethiolato-κ<i>S</i>)triphenyltin(IV), [Sn(C~6~H~5~S)(C~6~H~5~)~3~] (I), and bis(benzenethiolato-κ<i>S</i>)diphenyltin(IV), [Sn(C~6~H~5~S)~2~(C~6~H~5~)~2~] (II)
Speziali, Nivaldo L.; Guimarães, Beatriz G.; Silva, Rosalice M.; Duarte, Paulo H.; Aguiar, Silvestre R.; Acta Crystallographica Section C 50 (1994) 1059–1062; doi:10.1107/S0108270193014088

data_2009909
_publ_section_title
;
 (Benzenethiolato-\k<i>S</i>)triphenyltin(IV),
 [Sn(C~6~H~5~S)(C~6~H~5~)~3~] (I), and
 bis(benzenethiolato-\k<i>S</i>)diphenyltin(IV),
 [Sn(C~6~H~5~S)~2~(C~6~H~5~)~2~] (II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1059
_journal_page_last               1062
_journal_paper_doi               10.1107/S0108270193014088
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     '(C6 H5)3 Sn S (C6 H5)'
_chemical_formula_sum            'C24 H20 S Sn'
_chemical_formula_weight         459.1
_chemical_name_systematic
;
triphenyltinthiophenol
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.56(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.745(2)
_cell_length_b                   16.411(3)
_cell_length_c                   16.120(3)
_cell_measurement_reflns_used    52
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      4
_cell_volume                     2044.9(8)
_computing_cell_refinement       'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_data_collection       'XSCANS Siemens software'
_computing_data_reduction        'Reduce (Shelxtl-Plus)'
_computing_publication_material  'XP, XPUBL, XTEXT, XPRINT (Shelxtl-Plus)'
_computing_structure_refinement  'XLS (Shelxtl-Plus)'
_computing_structure_solution    'XPREP (Shelxtl-Plus)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens P4 diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.06
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4508
_diffrn_reflns_theta_max         22.5
_diffrn_reflns_theta_min         3.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 247
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.356
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       'Irregular shape'
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.67
_refine_ls_goodness_of_fit_obs   .94
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     235
_refine_ls_number_reflns         2080
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          .031
_refine_ls_shift/esd_max         .005
_refine_ls_shift/esd_mean        .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0025F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .050
_reflns_number_observed          2080
_reflns_number_total             2195
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            sh1090.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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^(F) +
0.0025F^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) + 0.0025F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2044.9(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009909