Information card for entry 4320709

Structure parameters

• Formula: C3 H18 Co2 N6 O9
• Calculated formula: C3 H18 Co2 N6 O9
• SMILES: [Co]123(OC(=O)O1)(OC(=O)O2)OC(=O)O3.[Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3]
• Title of publication: Isomer Formation and Other Issues in the Substitution Reactions of Oxorhenium(V) Complexes of 2,2'-Bipyridine and Related Ligands
• Authors of publication: James H. Espenson; Xiaopeng Shan; David W. Lahti; Timothy M. Rockey; Basudeb Saha; Arkady Ellern
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6717 - 6724
• a: 17.807 ± 0.0014 Å
• b: 10.5466 ± 0.0009 Å
• c: 13.7297 ± 0.0012 Å
• α: 90°
• β: 104.489 ± 0.002°
• γ: 90°
• Cell volume: 2496.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No