Information card for entry 7114251

Structure parameters

• Formula: C13 H11 Co O6
• Calculated formula: C13 H11 Co O6
• SMILES: [Co]12345678([cH]9[cH]1[cH]2[cH]3[c]49C(=O)O)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)[O-].OC=O
• Title of publication: Supramolecular gas???solid reaction between formic acid vapours and solid [CoIII(??5-C5H4COOH)(??5-C5H4COO)]
• Authors of publication: Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Masic, Admir; Gobetto, Roberto; Grepioni, Fabrizia
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2296
• a: 7.555 ± 0.003 Å
• b: 8.937 ± 0.003 Å
• c: 17.822 ± 0.006 Å
• α: 90°
• β: 90.842 ± 0.01°
• γ: 90°
• Cell volume: 1203.2 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No