Information card for entry 2022162

Structure parameters

• Chemical name: (<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)(triethylenetetramine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride perchlorate
• Formula: C10 H25 Cl2 Co N6 O7
• Calculated formula: C10 H25 Cl2 Co N6 O7
• SMILES: [Co]1234(OC(=O)C([NH2]4)CC(=O)N)[N](CC[NH2]1)(CC[NH2]2)CC[NH2]3.[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: 11.5455 ± 0.0006 Å
• b: 11.8865 ± 0.0006 Å
• c: 25.3868 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3484 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes