New Crystal Data for [Hg(SC~2~H~5~)~2~]
Fraser, K. A.; Clegg, W.; Craig, D. C.; Scudder, M. L.; Dance, I. G.; Acta Crystallographica Section C 51 (1995) 406–408; doi:10.1107/S0108270194009510

data_2003289
_publ_section_title
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 New Crystal Data for [Hg(SC~2~H~5~)~2~]
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              406
_journal_page_last               408
_journal_paper_doi               10.1107/S0108270194009510
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        ' Slow evaporation of an ethanolic solution'
_chemical_formula_sum            'C4 H10 Hg S2'
_chemical_formula_weight         322.8
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 101.83(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.342(2)
_cell_length_b                   4.702(2)
_cell_length_c                   23.131(6)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    294(1)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      10
_cell_volume                     781.6(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            1359
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        'decrease from 1.00 to 0.80'
_diffrn_standards_interval_time  33.33
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    20.09
_exptl_absorpt_correction_T_max  0.216
_exptl_absorpt_correction_T_min  0.036
_exptl_absorpt_correction_type   'analytical (de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.74
_exptl_crystal_description       'Diamond-shaped tabular'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.56
_refine_diff_density_min         -2.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.22
_refine_ls_number_parameters     33
_refine_ls_number_reflns         1029
_refine_ls_R_factor_obs          0.017
_refine_ls_shift/esd_max         0.98
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F~o~)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          1029
_reflns_number_total             1132
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            oh1066.cif
_cod_data_source_block           oh1066_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/\s^2^(F~o~)' 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~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        781.5(3)
_cod_original_formula_sum        'C4 H10 Hg1 S2'
_cod_database_code               2003289