<i>catena</i>-Poly[di-μ~3~-bromido-hexa-μ~2~-bromido-dibromidobis(<i>O</i>-methyl pyridine-2-carboximidate-κ^2^<i>N</i>,<i>N</i>')pentamercury(II)]
Shirvan, Sadif A.; Hossaini Sadr, Moayad; Acta Crystallographica Section E 68 (2012) m1492–; doi:10.1107/S1600536812046545

data_2236918
_publ_section_title
;
 <i>catena</i>-Poly[di-\m~3~-bromido-hexa-\m~2~-bromido-dibromidobis(<i>O</i>-methyl
 pyridine-2-carboximidate-\k^2^<i>N</i>,<i>N</i>')pentamercury(II)]
;
_journal_coeditor_code           HY2602
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1492
_journal_paper_doi               10.1107/S1600536812046545
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Hg5 Br10 (C7 H8 N2 O)2]'
_chemical_formula_moiety         'C14 H16 Br10 Hg5 N4 O2'
_chemical_formula_sum            'C14 H16 Br10 Hg5 N4 O2'
_chemical_formula_weight         2074.26
_chemical_name_systematic
;
<i>catena</i>-Poly[di-\m~3~-bromido-hexa-\m~2~-bromido-
dibromidobis(<i>O</i>-methyl
pyridine-2-carboximidate-\k^2^<i>N</i>,<i>N</i>')pentamercury(II)]
;
_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           SHELXL-97
_cell_angle_alpha                92.067(7)
_cell_angle_beta                 102.850(7)
_cell_angle_gamma                101.879(7)
_cell_formula_units_Z            1
_cell_length_a                   7.6768(7)
_cell_length_b                   10.7223(10)
_cell_length_c                   11.0663(10)
_cell_measurement_reflns_used    7320
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.89
_cell_volume                     865.86(14)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2012)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0839
_diffrn_reflns_av_sigmaI/netI    0.0959
_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       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7320
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    33.645
_exptl_absorpt_correction_T_max  0.2225
_exptl_absorpt_correction_T_min  0.1054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    3.978
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             894
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.894
_refine_diff_density_min         -1.895
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         3410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0731P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1329
_refine_ls_wR_factor_ref         0.1483
_reflns_number_gt                2042
_reflns_number_total             3410
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2602.cif
_cod_data_source_block           I
_cod_database_code               2236918
_cod_database_fobs_code          2236918