Information card for entry 2200034

Structure parameters

• Chemical name: [N-(2-Aminoethyl)-N,N-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride
• Formula: C8 H22 Cl3 Co N4
• Calculated formula: C8 H22 Cl3 Co N4
• SMILES: [Co]123(Cl)(Cl)[NH2]CC[N]3(CCC[NH2]1)CCC[NH2]2.[Cl-]
• Title of publication: [<i>N</i>-(2-Aminoethyl)-<i>N</i>,<i>N</i>-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride, [Co(abap)Cl~2~]Cl
• Authors of publication: Fanshawe, Rachel L.; Clark, Charles R.; Blackman, Allan G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: m17 - m18
• a: 8.405 ± 0.002 Å
• b: 10.2633 ± 0.0014 Å
• c: 15.9652 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1377.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes