(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_2009910
_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)2 Sn S2 (C6 H5)2'
_chemical_formula_sum            'C24 H20 S2 Sn'
_chemical_formula_weight         491.2
_chemical_name_systematic
;
diphenyltindithiophenol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.3900(10)
_cell_angle_beta                 103.1900(10)
_cell_angle_gamma                107.4400(10)
_cell_formula_units_Z            2
_cell_length_a                   9.449(2)
_cell_length_b                   10.310(2)
_cell_length_c                   12.430(2)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    293
_cell_measurement_theta_max      13
_cell_measurement_theta_min      4.5
_cell_volume                     1107.5(4)
_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  0.02
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2542
_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    1.348
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       'Irregular shape'
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.36
_refine_ls_goodness_of_fit_obs   .82
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     244
_refine_ls_number_reflns         1852
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          .030
_refine_ls_shift/esd_max         .000
_refine_ls_shift/esd_mean        .000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0020F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .043
_reflns_number_observed          1852
_reflns_number_total             2117
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            sh1090.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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) +
0.0020F^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) + 0.0020F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1107.5(5)
_cod_database_code               2009910