Information card for entry 7009070

Structure parameters

• Chemical name: [Cu(PPh3)3O2CH].HCO2H
• Formula: C56 H48 Cu O4 P3
• Calculated formula: C56 H48 Cu O4 P3
• Title of publication: Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopic studies in the tris(triphenylphosphine)-copper(I) and -silver(I) formate systems
• Authors of publication: Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.; Reid, Jason C.; Rickard, Clifton E. F.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 753
• a: 15.716 ± 0.002 Å
• b: 22.22 ± 0.004 Å
• c: 13.616 ± 0.002 Å
• α: 90°
• β: 95.69 ± 0.01°
• γ: 90°
• Cell volume: 4731.4 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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: 0.0884
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No