<i>catena</i>-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-diyl)dipyridinium [lead(II)-tri-μ-iodido-lead(II)-tri-μ-iodido]]
Xu, Guohai; He, Xiyun; Acta Crystallographica Section E 67 (2011) m847–; doi:10.1107/S160053681102006X

data_2230707
_publ_section_title
;
 <i>catena</i>-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-diyl)dipyridinium
 [lead(II)-tri-\m-iodido-lead(II)-tri-\m-iodido]]
;
_journal_coeditor_code           HY2435
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m847
_journal_paper_doi               10.1107/S160053681102006X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C14 H18 N2) [Pb2 I6]'
_chemical_formula_moiety         'C14 H18 N2 2+, I6 Pb2 2-'
_chemical_formula_sum            'C14 H18 I6 N2 Pb2'
_chemical_formula_weight         1390.08
_chemical_name_systematic
;
<i>catena</i>-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-diyl)dipyridinium
[lead(II)-tri-\m-iodido-lead(II)-tri-\m-iodido]]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.239(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.120(6)
_cell_length_b                   17.575(10)
_cell_length_c                   8.025(4)
_cell_measurement_reflns_used    3425
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      0.99
_cell_volume                     1399.9(13)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0384
_diffrn_reflns_av_sigmaI/netI    0.0230
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            22768
_diffrn_reflns_theta_full        28.15
_diffrn_reflns_theta_max         28.15
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    18.629
_exptl_absorpt_correction_T_max  0.030
_exptl_absorpt_correction_T_min  0.016
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.794
_refine_diff_density_min         -1.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         3425
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0121P)^2^+2.6844P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0434
_refine_ls_wR_factor_ref         0.0463
_reflns_number_gt                2838
_reflns_number_total             3425
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2435.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2230707
_cod_database_fobs_code          2230707