Structure d'un dérivé dimercuré de l'acétoacétate d'éthyle, [Hg~2~(C~6~H~8~O~3~)Cl~2~]~2~.CH~3~CN
Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J.; Acta Crystallographica Section C 50 (1994) 365–367; doi:10.1107/S0108270193009333

data_2009531
_publ_section_title
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 Structure d'un d\'eriv\'e dimercur\'e de l'ac\'etoac\'etate
 d'\'ethyle, [Hg~2~(C~6~H~8~O~3~)Cl~2~]~2~.CH~3~CN
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              365
_journal_page_last               367
_journal_paper_doi               10.1107/S0108270193009333
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H19 Cl4 Hg4 N O6'
_chemical_formula_weight         1241.48
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                69.07(4)
_cell_angle_beta                 69.82(6)
_cell_angle_gamma                86.08(4)
_cell_formula_units_Z            2
_cell_length_a                   9.004(8)
_cell_length_b                   12.584(3)
_cell_length_c                   12.798(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13.5
_cell_measurement_theta_min      13
_cell_volume                     1268.8(15)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\=\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3694
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    24.58
_exptl_absorpt_correction_T_max  1.269
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            incolore
_exptl_crystal_density_diffrn    3.25
_exptl_crystal_description       parall\'el\'epip\`ede
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.1
_refine_diff_density_min         -0.8
_refine_ls_extinction_coef       9.8
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   1.75
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2532
_refine_ls_R_factor_obs          0.0292
_refine_ls_shift/esd_max         0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0320
_reflns_number_observed          2532
_reflns_number_total             3507
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            du1049.cif
_cod_data_source_block           du1049_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        127E1(3)
_cod_original_formula_sum        'C14 H19 Cl4 Hg4 N1 O6'
_cod_database_code               2009531