Information card for entry 2312133

Structure parameters

• Chemical name: Poly[0.75(aqua)[μ~3~-4,4'-(1<i>H</i>,1'<i>H</i>-[2,2'-biimidazole]-1,1'-diyl)dibenzoato-κ^5^<i>O</i>,<i>O</i>';<i>N</i>;<i>O</i>'',<i>O</i>''']]lead(II)] 1.25-hydrate]
• Formula: C20 H16 N4 O6 Pb
• Calculated formula: C20 H12 N4 O6 Pb
• Title of publication: Construction of a Pb^II coordination polymer from a semi-rigid ditopic 2,2-biimidazole derivative: synthesis, crystal structure and characterization.
• Authors of publication: Liu, Xiangning; Cai, Hua; Zhou, Ruikang; Li, Yaqi
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 263 - 268
• a: 7.769 ± 0.004 Å
• b: 22.149 ± 0.012 Å
• c: 13.656 ± 0.008 Å
• α: 90°
• β: 99.399 ± 0.009°
• γ: 90°
• Cell volume: 2318 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes