Dibromo-bis(1,3-thiazolidine-2-thione)-mercury(ii)
Sammon, C.; Raper, E. S.; Mansor, R.; Hursthouse, Michael B.; Hibbs, D. E.; Constable, C. P.; Coles, Simon J.; Bell, N. A.; Crystal Structure Report Archive  (1997) 96–; doi:

data_1519188
_publ_section_title
;
 Dibromo-bis(1,3-thiazolidine-2-thione)-mercury(ii)
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              96
_journal_year                    1997
_chemical_formula_sum            'C6 H10 Br2 Hg N2 S4'
_chemical_formula_weight         598.81
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                82.760(10)
_cell_angle_beta                 73.330(6)
_cell_angle_gamma                80.54(2)
_cell_formula_units_Z            2
_cell_length_a                   7.6230(10)
_cell_length_b                   8.9510(10)
_cell_length_c                   10.914(2)
_cell_measurement_reflns_used    2553
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      1.95
_cell_volume                     701.24(18)
_computing_cell_refinement       'MADNESS (Pflugrath & Messerschmidt, 1989)'
_computing_data_collection       'MADNESS (Pflugrath & Messerschmidt, 1989)'
_computing_data_reduction        'MADNESS (Pflugrath & Messerschmidt, 1989)'
_computing_structure_refinement  'SHELXL-92 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Nonius FAST TV area detector'
_diffrn_measurement_method       '\F & \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR571 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2553
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.95
_diffrn_standards_number         9.091
_exptl_absorpt_coefficient_mu    17.239
_exptl_absorpt_correction_type   refdelf
_exptl_crystal_density_diffrn    2.836
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.704
_refine_diff_density_min         -1.261
_refine_diff_density_rms         0.302
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.035
_refine_ls_goodness_of_fit_obs   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1907
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.034
_refine_ls_restrained_S_obs      1.080
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_obs          0.0372
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w=1/[\s^2^(Fo^2^)+(0.0665P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.1008
_refine_ls_wR_factor_obs         0.1001
_reflns_number_observed          1734
_reflns_number_total             1907
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            eCrystal-96.cif
_cod_data_source_block           97src112
_cod_depositor_comments
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Citation :
Sammon, C. and Raper, E. S. and Mansor, R. and Hursthouse, Michael B. and 
Hibbs, D. E. and Constable, C. P. and Coles, Simon J. and Bell, N. A. (1997) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/96)

More at:
http://ecrystals.chem.soton.ac.uk/96/

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 
;
_cod_original_cell_volume        701.2(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1519188