Information card for entry 2216064

Structure parameters

• Chemical name: catena-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]
• Formula: C2 H9 Cu O9 P
• Calculated formula: C2 H9 Cu O9 P
• SMILES: [Cu]12(OP(=O)(O)[C@@H](O)C(=O)O1)([OH2])[OH][C@H]1P(=O)(O[Cu]([OH2])OC1=[O]2)O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]
• Authors of publication: Jing Li; Dapeng Dong; Yanyu Zhu; Zhengang Sun; Hui Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2646 - m2647
• a: 8.61 ± 0.005 Å
• b: 9.871 ± 0.006 Å
• c: 18.892 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1605.6 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes