(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthioacetato)triphenyltin
Ng, S. W.; Kumar Das, V. G.; Acta Crystallographica Section C 51 (1995) 2489–2491; doi:10.1107/S0108270194014575

data_2004320
_publ_section_title
;
 (<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthioacetato)triphenyltin
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2489
_journal_page_last               2491
_journal_paper_doi               10.1107/S0108270194014575
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C23 H23 N O2 S2 Sn'
_chemical_formula_weight         528.26
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 95.92(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.391(5)
_cell_length_b                   17.316(4)
_cell_length_c                   21.908(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      10
_cell_measurement_theta_min      8
_cell_volume                     4676(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6687
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  0.9994
_exptl_absorpt_correction_T_min  0.8726
_exptl_absorpt_correction_type
'semi-empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.83(9)
_refine_diff_density_min         -0.17(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.446
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     547
_refine_ls_number_reflns         3270
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.03
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0004|F|^2^+1]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          3270
_reflns_number_total             6420
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ta1019.cif
_cod_data_source_block           ta1019a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0004|F|^2^+1]' 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)+0.0004|F|^2^+1]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004320