Information card for entry 4077782

Structure parameters

• Formula: C12 H9 Co F3 K0.5 O4 P0.5
• Calculated formula: C12 H8 Co F3 K0.5 O4 P0.5
• Title of publication: Hydrogen Bonds within an Ionic Environment: The Remarkable Behavior of the Zwitterion [CoIII(η5-C5H4COOH)(η5-C5H4COO)]
• Authors of publication: Braga, Dario; Maini, Lucia; Polito, Marco; Grepioni, Fabrizia
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 2577
• a: 5.951 ± 0.002 Å
• b: 7.864 ± 0.001 Å
• c: 14.298 ± 0.008 Å
• α: 74.4 ± 0.03°
• β: 78.22 ± 0.03°
• γ: 74.45 ± 0.02°
• Cell volume: 614.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.1837
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No