Diphenylbis(2-pyridinethiolato)tin(IV)
Schmiedgen, R.; Huber, F.; Preut, H.; Acta Crystallographica Section C 49 (1993) 1735–1737; doi:10.1107/S0108270193002781

data_2001284
_publ_section_title
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 Diphenylbis(2-pyridinethiolato)tin(IV)
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1735
_journal_page_last               1737
_journal_paper_doi               10.1107/S0108270193002781
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C22 H18 N2 S2 Sn'
_chemical_formula_weight         493.21
_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                90.0
_cell_angle_beta                 111.760(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.990(2)
_cell_length_b                   17.875(4)
_cell_length_c                   12.743(2)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    291.0(10)
_cell_measurement_theta_max      15.1
_cell_measurement_theta_min      7.5
_cell_volume                     2113.4(7)
_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  0.027
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7912
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  150
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    1.41
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.4
_refine_diff_density_min         -0.6
_refine_ls_goodness_of_fit_obs   0.83
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3170
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.03
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0/[\s^2^F + (0.003751F^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.042
_reflns_number_observed          3170
_reflns_number_total             3665
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            ab1057.cif
_cod_data_source_block           ab1057_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1.0/[\s^2^F +
(0.003751F^2^)]' 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 + (0.003751F^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2001284