Poly[bis(μ-benzene-1,4-dicarboxylato)bis[μ-6-(4-pyridyl)-5<i>H</i>-imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]: an interpenetrating α-Po net
Xu, Zhan-Lin; Ma, Xiao-Yuan; Ma, Shuai; Wang, Xiu-Yan; Acta Crystallographica Section C 66 (2010) m245–m248; doi:10.1107/S0108270110032026

data_2017865
_publ_section_title
;
 Poly[bis(\m-benzene-1,4-dicarboxylato)bis[\m-6-(4-pyridyl)-5<i>H</i>-imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(II)]:
 an interpenetrating \a-Po net
;
_journal_coeditor_code           SQ3261
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m245
_journal_page_last               m248
_journal_paper_doi               10.1107/S0108270110032026
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb2 (C8 H4 O4)2 (C18 H11 N5)2]'
_chemical_formula_moiety         'C52 H30 N10 O8 Pb2'
_chemical_formula_sum            'C52 H30 N10 O8 Pb2'
_chemical_formula_weight         1337.24
_chemical_name_systematic
;
Poly[bis(\m-benzene-1,4-dicarboxylato)bis[\m-6-(4-pyridyl)-5<i>H</i>-
imidazolo[4,5-<i>f</i>][1,10]phenanthroline]dilead(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           SHELXL97
_cell_angle_alpha                75.8900(10)
_cell_angle_beta                 74.1990(10)
_cell_angle_gamma                81.3990(10)
_cell_formula_units_Z            2
_cell_length_a                   10.9066(7)
_cell_length_b                   15.0537(10)
_cell_length_c                   15.0663(10)
_cell_measurement_reflns_used    7984
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      1.40
_cell_volume                     2299.2(3)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX'
_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  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12743
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.383
_exptl_absorpt_correction_T_max  0.77
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.269
_refine_diff_density_min         -0.602
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         7984
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0361P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                6315
_reflns_number_total             7984
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3261.cif
_cod_data_source_block           I
_cod_database_code               2017865
_cod_database_fobs_code          2017865