Mercury(II) Chloride Adduct of a Betaine Derivative: Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]
Wu, D.-D.; Mak, T. C. W.; Acta Crystallographica Section C 51 (1995) 857–859; doi:10.1107/S0108270194012345

data_2003472
_publ_section_title
;Mercury(II) Chloride Adduct of a Betaine Derivative:
 Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              857
_journal_page_last               859
_journal_paper_doi               10.1107/S0108270194012345
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C16 H36 Cl8 Hg4 N4 O4'
_chemical_formula_sum            'C16 H36 Cl8 Hg4 N4 O4'
_chemical_formula_weight         1434.4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_alpha                90
_cell_angle_beta                 102.77(3)
_cell_angle_gamma                90
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_cell_length_a                   8.106(2)
_cell_length_b                   20.135(4)
_cell_length_c                   10.399(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      11
_cell_measurement_theta_min      3
_cell_volume                     1655.3(6)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.030
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_diffrn_reflns_limit_l_min       -11
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_diffrn_standards_decay_%        1.1
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_diffrn_standards_number         2
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_exptl_absorpt_correction_T_max  0.110
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.878
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_refine_ls_number_parameters     164
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.002F^2^]'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            kh1002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.002F^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) +
0.002F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1655.3(8)
_cod_database_code               2003472