Information card for entry 7050977

Structure parameters

• Formula: C12 H14 Cl Co O5
• Calculated formula: C12 H13 Cl Co O5
• SMILES: [Co]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81.C(=O)(C(=O)O)O.[Cl-].O
• Title of publication: The hydrogen oxalate anion allows one-dimensional columnar aggregation of organometallic sandwich cations
• Authors of publication: Braga, Dario; Eckert, Matthieu; Fraccastoro, Matteo; Maini, Lucia; Grepioni, Fabrizia; Caneschi, Andrea; Sessoli, Roberta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1280
• a: 6.821 ± 0.005 Å
• b: 8.904 ± 0.005 Å
• c: 11.176 ± 0.006 Å
• α: 76.42 ± 0.06°
• β: 80.11 ± 0.05°
• γ: 86.56 ± 0.06°
• Cell volume: 649.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No