Bis(μ-<i>N</i>,<i>N</i>'-di-3-pyridyl-2,6-pyridine-2,6-dicarboxamide-κ^2^<i>N</i>:<i>N</i>')bis[dibromidomercury(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
Huang, Li-hua; Wu, Jie; Acta Crystallographica Section E 64 (2008) m1263–; doi:10.1107/S1600536808028754

data_2219667
_publ_section_title
;Bis(\m-<i>N</i>,<i>N</i>'-di-3-pyridyl-2,6-pyridine-2,6-dicarboxamide-\k^2^<i>N</i>:<i>N</i>')bis[dibromidomercury(II)]
 <i>N</i>,<i>N</i>-dimethylformamide disolvate
;
_journal_coeditor_code           NG2488
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1263
_journal_paper_doi               10.1107/S1600536808028754
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Hg2 Br4 (C17 H13 N5 O2)2] , 2C3 H7 N O'
_chemical_formula_moiety         '[Hg2 Br4 (C17 H13 N5 O2)2] , 2C3 H7 N O'
_chemical_formula_sum            'C40 H40 Br4 Hg2 N12 O6'
_chemical_formula_weight         1505.62
_chemical_name_systematic
;Bis(\m-<i>N</i>,<i>N</i>'-di-3-pyridylpyridine-2,6-dicarboxamide-
\k^2^<i>N</i>:<i>N</i>')bis[dibromidomercury(II)]
<i>N</i>,<i>N</i>-dimethylformamide disolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                92.27(3)
_cell_angle_beta                 105.82(3)
_cell_angle_gamma                104.07(3)
_cell_formula_units_Z            1
_cell_length_a                   7.7609(16)
_cell_length_b                   12.267(3)
_cell_length_c                   13.296(3)
_cell_measurement_reflns_used    3306
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4642
_cell_measurement_theta_min      3.2057
_cell_volume                     1173.7(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14249
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.21
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    9.996
_exptl_absorpt_correction_T_max  0.2813
_exptl_absorpt_correction_T_min  0.2398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2006)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.707
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5337
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0274P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0665
_reflns_number_gt                4364
_reflns_number_total             5337
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2488.cif
_cod_data_source_block           I
_cod_original_cell_volume        1173.7(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2219667
_cod_database_fobs_code          2219667