Information card for entry 7200472

Structure parameters

• Formula: C7 H7 Cu O6 P
• Calculated formula: C7 H7 Cu O6 P
• Title of publication: m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials
• Authors of publication: Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 556 - 559
• a: 4.8414 ± 0.0003 Å
• b: 32.557 ± 0.003 Å
• c: 5.7845 ± 0.0009 Å
• α: 90°
• β: 96.016 ± 0.007°
• γ: 90°
• Cell volume: 906.74 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0463
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections included in the refinement: 0.0308
• Goodness-of-fit parameter for significantly intense reflections: 1.81
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No