Information card for entry 2207846

Structure parameters

• Common name: [Co(Sbcmle)(en)]H2O
• Chemical name: [N,N-Bis(carboxymethyl)-L-leucinato](1,2-ethanediamine)cobalt(III) monohydrate
• Formula: C12 H24 Co N3 O7
• Calculated formula: C12 H24 Co N3 O7
• SMILES: [Co]1234(OC(=O)C[N]3([C@H](C(=O)O1)CC(C)C)CC(=O)O2)[NH2]CC[NH2]4.O
• Title of publication: [<i>N</i>,<i>N</i>-Bis(carboxymethyl)-<small>L</small>-leucinato](1,2-ethanediamine)cobalt(III) monohydrate
• Authors of publication: Kato, Takashi; Fujii, Tatsuya; Ozawa, Tomohiro; Funahashi, Yasuhiro; Masuda, Hideki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m92 - m94
• a: 7.474 ± 0.0004 Å
• b: 7.3532 ± 0.0004 Å
• c: 28.8604 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1586.1 ± 0.15 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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 significantly intense reflections: 0.0248
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes