Information card for entry 4077781

Structure parameters

• Formula: C24 H19 Co2 F6 O8 P
• Calculated formula: C24 H18 Co2 F6 O8 P
• 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: 6.953 ± 0.002 Å
• b: 11.856 ± 0.009 Å
• c: 14.862 ± 0.005 Å
• α: 86.98 ± 0.05°
• β: 80.55 ± 0.02°
• γ: 82.69 ± 0.04°
• Cell volume: 1198.1 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No