A three-dimensional Pb^II^ coordination framework: poly[[μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]
Liu, Lei-Lei; Yu, Cai-Xia; Hua, Lei; Lin, Lu; Acta Crystallographica Section C 70 (2014) 650–653; doi:10.1107/S2053229614012534

data_2019582
_publ_section_title
;
 A three-dimensional Pb^II^ coordination framework:
 poly[[\m~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]
;
_journal_coeditor_code           YP3071
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              650
_journal_page_last               653
_journal_paper_doi               10.1107/S2053229614012534
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Pb (C14 H8 N2 O4) (C H4 O)2]'
_chemical_formula_moiety         'C16 H16 N2 O6 Pb'
_chemical_formula_sum            'C16 H16 N2 O6 Pb'
_chemical_formula_weight         539.50
_chemical_name_systematic
;
Poly[[\m~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL2013
_cell_angle_alpha                90
_cell_angle_beta                 109.90(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.508(4)
_cell_length_b                   10.899(2)
_cell_length_c                   8.2818(17)
_cell_measurement_reflns_used    2584
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.78
_cell_measurement_theta_min      3.65
_cell_volume                     1740.6(7)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics
;
XP (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4608
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.246
_diffrn_reflns_theta_min         2.112
_exptl_absorpt_coefficient_mu    9.728
_exptl_absorpt_correction_T_max  0.232
_exptl_absorpt_correction_T_min  0.082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.059
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.519
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1571
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0354P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0665
_reflns_number_gt                1446
_reflns_number_total             1571
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            yp3071sup1.cf
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2019582.cif.'
_cod_original_cell_volume        1740.5(7)
_cod_database_code               2019582
_cod_database_fobs_code          2019582
_shelx_estimated_absorpt_t_min   0.171
_shelx_estimated_absorpt_t_max   0.323
_shelx_hkl_checksum              39556
_shelx_res_checksum              81454
_shelxl_version_number           20.13