Information card for entry 2020052

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: 16.7032 ± 0.0006 Å
• b: 12.0743 ± 0.0004 Å
• c: 12.0288 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.96 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0194
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes