Poly[diaqua[μ~6~-4,4'-(1,4-phenylene)bis(2,6-dimethylpyridine-3,5-dicarboxylato)]dilead(II)]
Zhu, Yi; Zhang, Ming-Xing; Yang, Shan-Shan; Xiao, Feng; Zhang, Xiao-Ping; Gao, Yuan-Yuan; Li, Bing-Jie; Huang, Kun-Lin; Acta Crystallographica Section E 69 (2013) m232–m233; doi:10.1107/S1600536813007733

data_2237647
_publ_section_title
;
 Poly[diaqua[\m~6~-4,4'-(1,4-phenylene)bis(2,6-dimethylpyridine-3,5-dicarboxylato)]dilead(II)]
;
_journal_coeditor_code           IM2422
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m232
_journal_page_last               m233
_journal_paper_doi               10.1107/S1600536813007733
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Pb2 (C24 H16 N2 O8) (H2 O1)2]'
_chemical_formula_moiety         'C24 H20 N2 O10 Pb2'
_chemical_formula_sum            'C24 H20 N2 O10 Pb2'
_chemical_formula_weight         910.80
_chemical_name_systematic
Poly[diaqua[\m~6~-4,4'-(1,4-phenylene)bis(2,6-dimethylpyridine-3,5-dicarboxylato)]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           SHELXL-97
_cell_angle_alpha                79.202(2)
_cell_angle_beta                 71.683(2)
_cell_angle_gamma                85.494(3)
_cell_formula_units_Z            1
_cell_length_a                   7.2182(12)
_cell_length_b                   9.0635(14)
_cell_length_c                   9.9589(15)
_cell_measurement_reflns_used    1580
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.111
_cell_measurement_theta_min      2.675
_cell_volume                     607.43(17)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       'phi and omega 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  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3168
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.903
_exptl_absorpt_correction_T_max  0.1422
_exptl_absorpt_correction_T_min  0.1287
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             422
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.148
_refine_diff_density_min         -1.155
_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     174
_refine_ls_number_reflns         2119
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0221
_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^)+(0.0347P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0552
_reflns_number_gt                1932
_reflns_number_total             2119
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2422.cif
_cod_data_source_block           I
_cod_database_code               2237647
_cod_database_fobs_code          2237647