Information card for entry 2022161

Structure parameters

• Chemical name: (<i>L</i>-Asparaginato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride perchlorate
• Formula: C11 H24 Cl2 Co N5 O6
• Calculated formula: C11 H24 Cl2 Co N5 O6
• SMILES: [Co]1234(OC(=O)C5=[N]1CCC5)[NH2]CC[NH]4CC[NH]3CC[NH2]2.[Cl-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains
• Authors of publication: Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• a: 13.6098 ± 0.0014 Å
• b: 11.1177 ± 0.0011 Å
• c: 13.6429 ± 0.0014 Å
• α: 90°
• β: 118.651 ± 0.002°
• γ: 90°
• Cell volume: 1811.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes