Information card for entry 2020053

Structure parameters

• Chemical name: Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride
• Formula: C6 H18 Cl Co N6 O4
• Calculated formula: C6 H18 Cl Co N6 O4
• SMILES: [Co]123([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)(N(=O)=O)N(=O)=O.[Cl-]
• Title of publication: Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
• Authors of publication: Guzei, Ilia A.; Arderne, Charmaine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• a: 8.856 ± 0.004 Å
• b: 11.95 ± 0.005 Å
• c: 11.75 ± 0.004 Å
• α: 90°
• β: 90 ± 0.013°
• γ: 90°
• Cell volume: 1243.5 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: A 2 1 1
• Hall space group symbol: A 2y
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes