Information card for entry 2218260

Structure parameters

• Chemical name: (-)~545~-<i>fac</i>-Δ-Tris(L-prolinato)cobalt(III) trihydrate
• Formula: C15 H30 Co N3 O9
• Calculated formula: C15 H30 Co N3 O9
• SMILES: [C@H]12CCC[NH]2[Co]23([NH]4[C@@H](CCC4)C(=O)O2)([NH]2[C@@H](CCC2)C(=O)O3)OC1=O.O.O.O
• Title of publication: ({-})~545~-<i>fac</i>-Δ-Tris(<small>L</small>-prolinato)cobalt(III) trihydrate
• Authors of publication: Kato, Masaru; Hayashi, Miho; Fujihara, Takashi; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m684
• a: 10.1673 ± 0.0009 Å
• b: 10.8433 ± 0.001 Å
• c: 17.2157 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1898 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes