Information card for entry 4332260

Structure parameters

• Formula: C22 H28 Cu2 F12 O10
• Calculated formula: C22 H28 Cu2 F12 O10
• Title of publication: Structure and Magnetic Properties of a Hydroxo-Bridged Copper(II) Distorted Cubane Stabilized via Supramolecular Hydrogen Bonding with an Ionic Hexafluoroacetylacetonate
• Authors of publication: Lopez, Nazario; Vos, Thomas E.; Arif, Atta M.; Shum, William W.; Noveron, Juan C.; Miller, Joel S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4325 - 4327
• a: 24.7528 ± 0.0007 Å
• b: 14.8648 ± 0.0004 Å
• c: 18.6915 ± 0.0003 Å
• α: 90°
• β: 110.13 ± 0.0014°
• γ: 90°
• Cell volume: 6457.3 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No