Information card for entry 7203682

Structure parameters

• Common name: Copper di(4-methylene-hydrogenphosphono-benzoic acid)-di-hydrate
• Formula: C16 H20 Cu O12 P2
• Calculated formula: C16 H20 Cu O12 P2
• Title of publication: High-throughput investigation of metal carboxyarylphosphonate hybrid compounds
• Authors of publication: Stock, Norbert; Bein, Thomas
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 1384
• a: 4.5914 ± 0.0006 Å
• b: 5.981 ± 0.0008 Å
• c: 17.811 ± 0.003 Å
• α: 81.513 ± 0.016°
• β: 86.272 ± 0.016°
• γ: 82.251 ± 0.015°
• Cell volume: 478.83 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No