Information card for entry 1501615

Structure parameters

• Formula: C21 H13 Cu F3 O6
• Calculated formula: C21 H13 Cu F3 O6
• Title of publication: Bond-valence approach to the copper-copper and copper-oxygen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-fluorobenzoato-O,O')-bis (2-fluorobenzoate-O) dicopper(II)
• Authors of publication: Fedor Valach; Miroslav Tokarčík; Thierry Maris; David J. Watkin; Keith Prout
• Journal of publication: Zeitschrift für Kristallographie - Crystalline Materials
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 56 - 60
• a: 10.633 ± 0.003 Å
• b: 12.528 ± 0.003 Å
• c: 14.729 ± 0.003 Å
• α: 90 ± 0.02°
• β: 91.62 ± 0.04°
• γ: 90 ± 0.03°
• Cell volume: 1961.3 ± 0.8 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 significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0539
• Goodness-of-fit parameter for significantly intense reflections: 1.0574
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No