Information card for entry 2103549

Structure parameters

• Common name: [Co(trien)(L-ile)]I2.H2O
• Chemical name: (L-isoleucinato)-(triethylenetetramine)-cobalt(III) diiodide monohydrate
• Formula: C12 H32 Co I2 N5 O3
• Calculated formula: C12 H32 Co I2 N5 O3
• SMILES: [Co]1234([NH2]CC[NH]1CC[NH]2CC[NH2]3)[NH2][C@H](C(=O)O4)[C@@H](C)CC.[I-].[I-].O
• Title of publication: Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes
• Authors of publication: Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 45 - 53
• a: 10.053 ± 0.002 Å
• b: 11.54 ± 0.002 Å
• c: 18.664 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2165.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No