Information card for entry 7200473

Structure parameters

• Formula: C28 H30 Cu6 O27 P4
• Calculated formula: C28 H32 Cu6 O28 P4
• 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: 14.656 ± 0.003 Å
• b: 14.656 ± 0.003 Å
• c: 16.905 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3144.7 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for significantly intense reflections: 1.89
• Goodness-of-fit parameter for all reflections included in the refinement: 1.56
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No