μ-2,3,5,6-Tetra-2-pyridylpyrazine-bis[dichloromercury(II)]
Zhang, Lei; Zhao, Xin-Hua; Zhao, Yuan; Acta Crystallographica Section E 61 (2005) m1760–m1761; doi:10.1107/S1600536805024712

data_2206801
_publ_section_title
;
 \m-2,3,5,6-Tetra-2-pyridylpyrazine-bis[dichloromercury(II)]
;
_journal_coeditor_code           TK6246
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1760
_journal_page_last               m1761
_journal_paper_doi               10.1107/S1600536805024712
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Hg2 Cl4 (C24 H16 N6)]'
_chemical_formula_moiety         'C24 H16 Cl4 Hg2 N6'
_chemical_formula_sum            'C24 H16 Cl4 Hg2 N6'
_chemical_formula_weight         931.41
_chemical_name_systematic
;
\m-2,3,5,6-tetra-2-pyridylpyrazine-\k^4^N^2^,N^6^:N^3^,N^5^-
bis[dichloromercury(II)]
;
_space_group_IT_number           2
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_cell_angle_gamma                106.370(2)
_cell_formula_units_Z            1
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_cell_length_b                   9.1939(10)
_cell_length_c                   11.2326(13)
_cell_measurement_reflns_used    3118
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      2.5
_cell_volume                     642.71(13)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT and SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
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_exptl_absorpt_correction_T_max  0.084
_exptl_absorpt_correction_T_min  0.076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
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_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0235P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.064
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk6246.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        642.71(12)
_cod_database_code               2206801
_cod_database_fobs_code          2206801