Structure of [<i>N</i>-(2-mercaptophenyl)-4-oxo-2-pentylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]diphenyltin(IV)
Okechukwu, R. C.; Fun, H.-K.; Teoh, S.-G.; Teo, S.-B.; Chinnakali, K.; Acta Crystallographica Section C 49 (1993) 368–370; doi:10.1107/S0108270192008928

data_2001997
_publ_section_title
;Structure of
 [<i>N</i>-(2-mercaptophenyl)-4-oxo-2-pentylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]diphenyltin(IV)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              368
_journal_page_last               370
_journal_paper_doi               10.1107/S0108270192008928
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C23 H21 N O S Sn'
_chemical_formula_weight         478.2
_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           'SHELXTL/PC (Sheldrick, 1990)'
_cell_angle_alpha                90
_cell_angle_beta                 97.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.137(3)
_cell_length_b                   16.016(3)
_cell_length_c                   11.765(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      7.5
_cell_volume                     2081.3(9)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5017
_diffrn_reflns_theta_max         55.0
_diffrn_standards_decay_%        insignificant
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.340
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_meas      1.532
_exptl_crystal_description       plate
_exptl_crystal_size_max          5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.01
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     328
_refine_ls_number_reflns         3741
_refine_ls_R_factor_obs          0.0229
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0/[\s^2^(F)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0216
_reflns_number_observed          3741
_reflns_number_total             4782
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            li1015.cif
_cod_data_source_block           li1015_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1.0/[\s^2^(F)]' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1.0/[\s^2^(F)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2001997