Information card for entry 4324114

Structure parameters

• Formula: C24 H46 Cl2 Co N5 O11
• Calculated formula: C24 H44 Cl2 Co N5 O11
• SMILES: [Co]1234(OC(=O)[C@H]([NH2]4)c4ccccc4)[NH]4[C@@H](CC)C[NH]1[C@@H](CC)C[NH]2[C@@H](CC)C[NH]3[C@@H](CC)C4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Chiral Recognition of α-Amino Acids by an Optically Active (2S,5S,8S,11S)-2,5,8,11-Tetraethyl Cyclen Cobalt(III) Complex
• Authors of publication: Shohei Tashiro; Yasuyo Ogura; Sei Tsuboyama; Kaoru Tsuboyama; Mitsuhiko Shionoya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4 - 6
• a: 12.5046 ± 0.0012 Å
• b: 12.9421 ± 0.0012 Å
• c: 19.3464 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3130.9 ± 0.5 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 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 significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No