Construction of a Pb<sup>II</sup> coordination polymer from a semi-rigid ditopic 2,2-biimidazole derivative: synthesis, crystal structure and characterization.
Liu, Xiangning; Cai, Hua; Zhou, Ruikang; Li, Yaqi; Acta crystallographica. Section C, Structural chemistry 79 (2023) 263–268; doi:10.1107/S2053229623004783

data_2312133
_publ_section_title
;
 Construction of a Pb<sup>II</sup> coordination polymer from
 a&#xa0;semi-rigid ditopic 2,2-biimidazole derivative: synthesis, crystal
 structure and characterization.
;
_journal_coeditor_code           LF3130
_journal_issue                   7
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              263
_journal_page_last               268
_journal_paper_doi               10.1107/S2053229623004783
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '[Pb (C20 H12 N4 O4) (H2 O)0.75], 1.25H2 O'
_chemical_formula_moiety         'C20 H13.5 N4 O4.75 Pb, 1.25(H2 O)'
_chemical_formula_sum            'C20 H16 N4 O6 Pb'
_chemical_formula_weight         615.56
_chemical_name_systematic
;Poly[0.75(aqua)[\m~3~-4,4'-(1<i>H</i>,1'<i>H</i>-[2,2'-biimidazole]-1,1'-diyl)dibenzoato-\k^5^<i>O</i>,<i>O</i>';<i>N</i>;<i>O</i>'',<i>O</i>''']]lead(II)]
1.25-hydrate]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
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_cell_angle_gamma                90
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_cell_length_b                   22.149(12)
_cell_length_c                   13.656(8)
_cell_measurement_reflns_used    3362
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.30
_cell_measurement_theta_min      2.38
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_computing_cell_refinement
;
SMART (Bruker, 2010)
;
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;
SMART (Bruker, 2010)
;
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SAINT (Bruker, 2010)
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OLEX2 (Dolomanov <i>et al.</i>, 2009) and
DIAMOND (Brandenburg & Putz, 2005)
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OLEX2 (Dolomanov <i>et al.</i>, 2009)
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SHELXL2019 (Sheldrick, 2015)
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SHELXS (Sheldrick, 2008)
;
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_diffrn_measurement_method       'phi and omega scans'
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;
(SADABS; Bruker, 2010)
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_max          0.001
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0561P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           I
_cod_original_cell_volume        2319(2)
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_shelx_estimated_absorpt_t_min   0.234
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_cod_database_fobs_code 2312133