Poly[μ~8~-4,4'-bipyridine-2,2',6,6'-tetracarboxylato-dilead(II)]
Zhou, Su-Ping; Wu, Xu-Xian; Zu, Chao; Chen, Zi-Lu; Liang, Fu-Pei; Acta Crystallographica Section C 66 (2010) m26–m28; doi:10.1107/S0108270109053736

data_2017502
_publ_section_title
;
 Poly[\m~8~-4,4'-bipyridine-2,2',6,6'-tetracarboxylato-dilead(II)]
;
_journal_coeditor_code           EG3035
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m26
_journal_page_last               m28
_journal_paper_doi               10.1107/S0108270109053736
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb2 (C14 H4 N2 O8)]'
_chemical_formula_moiety         'C14 H4 N2 O8 Pb2'
_chemical_formula_sum            'C14 H4 N2 O8 Pb2'
_chemical_formula_weight         742.58
_chemical_name_systematic
;
Poly[\m~8~-4,4'-bipyridine-2,2',6,6'-tetracarboxylato-dilead(II)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.203(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.696(2)
_cell_length_b                   5.3916(8)
_cell_length_c                   14.2090(16)
_cell_measurement_reflns_used    2595
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.149
_cell_measurement_theta_min      4.096
_cell_volume                     1456.1(3)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2004)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0579
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3640
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    23.148
_exptl_absorpt_correction_T_max  0.2941
_exptl_absorpt_correction_T_min  0.1030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    3.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pyramid
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.460
_refine_diff_density_min         -1.887
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1285
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0608P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0870
_reflns_number_gt                1116
_reflns_number_total             1285
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            eg3035.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2017502
_cod_database_fobs_code          2017502