Structure of [NH~3~(C~2~H~5~)]~2~[Hg(CN)~2~Cl~2~]
Zouari, R.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H.; Acta Crystallographica Section C 49 (1993) 1596–1598; doi:10.1107/S0108270193002124

data_2001371
_publ_section_title
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 Structure of [NH~3~(C~2~H~5~)]~2~[Hg(CN)~2~Cl~2~]
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_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1596
_journal_page_last               1598
_journal_paper_doi               10.1107/S0108270193002124
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(C2 H8 N)2,C2 Cl2 Hg N2'
_chemical_formula_sum            'C6 H16 Cl2 Hg N4'
_chemical_formula_weight         415.72
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_atom_type_scat_source           'International Tables (1962, Vol. III)'
_cell_angle_alpha                90
_cell_angle_beta                 95.210(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.3200(10)
_cell_length_b                   9.1530(10)
_cell_length_c                   8.6490(10)
_cell_measurement_reflns_used    46
_cell_measurement_temperature    293
_cell_measurement_theta_max      11.7
_cell_measurement_theta_min      8.4
_cell_volume                     1286.6(2)
_diffrn_measurement_device       'PW 1100 (modified)'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a~1~
_diffrn_radiation_wavelength     0.70926
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4325
_diffrn_reflns_theta_max         24.5
_diffrn_standards_decay_%        '1.00-0.93 mean 0.95'
_diffrn_standards_interval_count 100
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    12.35
_exptl_absorpt_correction_T_max  14.81
_exptl_absorpt_correction_T_min  6.32
_exptl_absorpt_correction_type   'analytical integration'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.146
_exptl_crystal_description       'Tetragonal columns'
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.19
_refine_diff_density_min         -1.54
_refine_ls_extinction_coef       24E2(3)
_refine_ls_goodness_of_fit_obs   2.54
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1079
_refine_ls_R_factor_obs          0.0390
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0392
_reflns_number_observed          1079
_reflns_number_total             1079
_cod_data_source_file            sh1015.cif
_cod_data_source_block           sh1015_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1287
_cod_database_code               2001371