Information card for entry 4319471

Structure parameters

• Formula: C23 H46 Cu2 F12 N15 O2 P2
• Calculated formula: C23 H25 Cu2 F12 N15 O2 P2
• Title of publication: Syntheses, Crystal Structures, Magnetic Properties, and EPR Spectra of Tetranuclear Copper(II) Complexes Featuring Pairs of "Roof-Shaped" Cu2X2 Dimers with Hydroxide, Methoxide, and Azide Bridges
• Authors of publication: Bim Graham; Milton T. W. Hearn; Peter C. Junk; Christopher M. Kepert; Frank E. Mabbs; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1536 - 1543
• a: 12.06 ± 0.002 Å
• b: 12.554 ± 0.002 Å
• c: 14.0509 ± 0.0015 Å
• α: 91.846 ± 0.011°
• β: 98.218 ± 0.012°
• γ: 105.617 ± 0.017°
• Cell volume: 2022.2 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.202
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for all reflections: 1.579
• Goodness-of-fit parameter for significantly intense reflections: 2.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: xray_tube
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No