Dibromodiethylbis(3H-imidazole-2-thione-S)tin(IV)
Casas, J. S.; Sanchez Gonzalez, A.; Sordo, J.; Garcia Barros, F. J.; Valle, G.; Acta Crystallographica Section C Crystal Structure Communications 51 (1995) 633–; doi:10.1107/S0108270194004427

data_2019345
_publ_section_title
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 Dibromodiethylbis(3H-imidazole-2-thione-S)tin(IV)
;
_journal_issue                   4
_journal_name_full
'Acta Crystallographica Section C Crystal Structure Communications'
_journal_page_first              633
_journal_paper_doi               10.1107/S0108270194004427
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C10 H18 Br2 N4 S2 Sn1'
_chemical_formula_sum            'C10 H18 Br2 N4 S2 Sn'
_chemical_formula_weight         536.90
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                107.00(10)
_cell_angle_beta                 84.40(10)
_cell_angle_gamma                96.80(10)
_cell_formula_units_Z            1
_cell_length_a                   8.6410(10)
_cell_length_b                   7.2360(10)
_cell_length_c                   7.3370(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13
_cell_measurement_theta_min      8
_cell_volume                     434.7(3)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1868
_diffrn_reflns_theta_max         56.0
_diffrn_standards_decay_%        10
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.253
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.05
_exptl_crystal_density_meas      2.043
_exptl_crystal_description       pseudo-rhombohedral
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         '2.488 (near Sn)'
_refine_diff_density_min         '-1.87 (near Sn)'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.584
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1778
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.187
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^F + 0.003933F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          1778
_reflns_number_total             1868
_reflns_observed_criterion       F>=2\s(F)
_cod_data_source_file            na1084sup1.cif
_cod_data_source_block           na1084a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/(\s^2^F + 0.003933F^2^)'
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 +
0.003933F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C10 H18 Br2 N4 S2 Sn1'
_cod_database_code               2019345