Information card for entry 2021666

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqualead(II)]-μ-croconato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^] monohydrate]
• Formula: C5 H6 O8 Pb
• Calculated formula: C5 H6 O8 Pb
• SMILES: [Pb]1([OH2])([OH2])([OH2])OC2=C(O1)C(=O)C(=O)C2=[O][Pb]1([OH2])([OH2])([OH2])OC2=C(O1)C(=O)C(=O)C2=O
• Title of publication: Coordination polymers of Cd^II^ and Pb^II^ with croconate show remarkable differences in coordination patterns: a structural and spectroscopic study
• Authors of publication: Silverman, Joshua A.; Mathivathanan, Logesh; Govor, Evgen V.; Raptis, Raphael G.; Kavallieratos, Konstantinos
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• a: 6.436 ± 0.0004 Å
• b: 7.9058 ± 0.0004 Å
• c: 8.3495 ± 0.0005 Å
• α: 104.055 ± 0.001°
• β: 90.956 ± 0.002°
• γ: 96.2 ± 0.002°
• Cell volume: 409.3 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes