Tris(2-pyridinethiolato)(<i>p</i>-tolyl)tin(IV), [Sn(C~5~H~4~NS)~3~(C~7~H~7~)]
Schürmann, M.; Huber, F.; Acta Crystallographica Section C 50 (1994) 206–209; doi:10.1107/S0108270193007310

data_2009494
_publ_section_title
;
 Tris(2-pyridinethiolato)(<i>p</i>-tolyl)tin(IV),
 [Sn(C~5~H~4~NS)~3~(C~7~H~7~)]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              206
_journal_page_last               209
_journal_paper_doi               10.1107/S0108270193007310
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C22 H19 N3 S3 Sn'
_chemical_formula_weight         540.28
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 103.64(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.848(3)
_cell_length_b                   16.139(3)
_cell_length_c                   16.465(4)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    291.0(10)
_cell_measurement_theta_max      12.8
_cell_measurement_theta_min      7.5
_cell_volume                     2284.9(11)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7070
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <3.8
_diffrn_standards_interval_time  150
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    1.406
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_correction_T_min  0.903
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.6
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     264
_refine_ls_number_reflns         1887
_refine_ls_R_factor_obs          0.0485
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w=\s^2^(F) + 0.0003F^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0393
_reflns_number_observed          1887
_reflns_number_total             4047
_reflns_observed_criterion       F>2\s(F)
_cod_data_source_file            sh1055.cif
_cod_data_source_block           sh1055_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=\s^2^(F) + 0.0003F^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w=\s^2^(F) +
0.0003F^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2285
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009494