Information card for entry 2022160

Structure parameters

• Chemical name: (<i>L</i>-Prolinato-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) diiodide monohydrate
• Formula: C11 H28 Co I2 N5 O3
• Calculated formula: C11 H28 Co I2 N5 O3
• 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: 9.4554 ± 0.0007 Å
• b: 9.901 ± 0.0008 Å
• c: 10.3668 ± 0.0008 Å
• α: 90°
• β: 97.567 ± 0.001°
• γ: 90°
• Cell volume: 962.07 ± 0.13 ų
• Cell temperature: 99.96 K
• Ambient diffraction temperature: 99.96 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes