Information card for entry 7110629

Structure parameters

• Formula: C12 H9 Co O4
• Calculated formula: C12 H9 Co O4
• SMILES: [c]12([cH]3[Co]4567892([cH]1[cH]5[cH]37)[c]1([cH]9[cH]8[cH]6[cH]41)C(=O)[O-])C(=O)O
• Title of publication: Seeds obtained from a hydrated polymorph permit crystallisation of an elusive anhydrous organometallic zwitterion
• Authors of publication: Braga, Dario; Maini, Lucia; Polito, Marco; Cojazzi, Gianna; Grepioni, Fabrizia
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 1949
• a: 7.403 ± 0.002 Å
• b: 10.964 ± 0.008 Å
• c: 12.293 ± 0.003 Å
• α: 90°
• β: 94.3 ± 0.03°
• γ: 90°
• Cell volume: 995 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No