A new dimercurated derivative of acetylacetone, [Hg~2~(C~5~H~6~O~2~)Cl~2~].CH~3~CN
Bonhomme, C.; Toledano, P.; Livage, J.; Acta Crystallographica Section C 50 (1994) 1590–1592; doi:10.1107/S010827019400332X

data_2010098
_publ_section_title
;
 A new dimercurated derivative of acetylacetone,
 [Hg~2~(C~5~H~6~O~2~)Cl~2~].CH~3~CN
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1590
_journal_page_last               1592
_journal_paper_doi               10.1107/S010827019400332X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C5 H6 Cl2 Hg2 O2,C2 H3 N'
_chemical_formula_sum            'C7 H9 Cl2 Hg2 N O2'
_chemical_formula_weight         611.24
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 91.090(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7330(10)
_cell_length_b                   10.0890(10)
_cell_length_c                   11.479(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      14
_cell_measurement_theta_min      13
_cell_volume                     1242.8(3)
_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  0.065
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4891
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    25.09
_exptl_absorpt_correction_T_max  1.44
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.27
_exptl_crystal_description       Parallelepiped
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.8
_refine_diff_density_min         -1.1
_refine_ls_extinction_coef       'primary, 17.5(9)'
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   2.36
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     129
_refine_ls_number_reflns         1671
_refine_ls_R_factor_obs          0.0279
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0331
_reflns_number_observed          1671
_reflns_number_total             2185
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            du1077.cif
_cod_data_source_block           du1077_structure_1_of_1
_cod_original_cell_volume        1242.8(4)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C7 H9 Cl2 Hg2 N1 O2'
_cod_database_code               2010098