<i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV)
Schmiedgen, R.; Huber, F.; Schürmann, M.; Acta Crystallographica Section C 50 (1994) 391–394; doi:10.1107/S0108270193008315

data_2009558
_publ_section_title
;
 <i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              391
_journal_page_last               394
_journal_paper_doi               10.1107/S0108270193008315
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C16 H18 N6 S3 Sn1'
_chemical_formula_sum            'C16 H18 N6 S3 Sn'
_chemical_formula_weight         509.23
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 92.67(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.523(2)
_cell_length_b                   12.849(3)
_cell_length_c                   17.079(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    291.0(10)
_cell_measurement_theta_max      15.1
_cell_measurement_theta_min      7.8
_cell_volume                     2087.5(8)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       '\w/2\q (3.0-15.0\% min^-1^ in \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       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6035
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  150
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    1.535
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.925
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_description       block
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.75
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     471
_refine_ls_number_reflns         2664
_refine_ls_R_factor_obs          0.0293
_refine_ls_shift/esd_max         0.079
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = \s^2^(F) + 0.0002F^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0231
_reflns_number_observed          2664
_reflns_number_total             3889
_reflns_observed_criterion       F>=1.5\s(F)
_cod_data_source_file            se1034.cif
_cod_data_source_block           se1034_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = \s^2^(F) + 0.0002F^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) +
0.0002F^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2089.7(8)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C16 H18 N6 S3 Sn1'
_cod_database_code               2009558