Information card for entry 1558287

Structure parameters

• Common name: Sodium Tri-mu-hydroxobis{1,4,7-triazacyclononanecobalt(III)} Dichloride Diperchlorate Dihydrate
• Formula: C12 H37 Cl4 Co2 N6 Na O13
• Calculated formula: C12 Cl4 Co2 N6 Na O13
• SMILES: [Co]1234([OH][Co]56([OH]1)([OH]2)[NH]1CC[NH]5CC[NH]6CC1)[NH]1CC[NH]3CC[NH]4CC1.[Na](OCl(=O)(=O)=O)(OCl(=O)(=O)=O)(Cl)(Cl)([OH2])[OH2]
• Title of publication: Base Hydrolysis of (1,4,7-Triazacyclononane)(3-thiapentane-1,5-diamine)cobalt(III) and the Crystal and Molecular Structure of Sodium Tri-mu-hydroxobis{1,4,7-triazacyclononanecobalt(III)} Dichloride Diperchlorate Dihydrate Isolated from the Reaction
• Authors of publication: Larsen, Erik; Larsen, Sine; Paulsen, Gudrun B.; Springborg, Johan; Wang, Dong-Ni
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 107 - 112
• a: 7.235 ± 0.005 Å
• b: 17.662 ± 0.002 Å
• c: 20.87 ± 0.006 Å
• α: 90°
• β: 93.41 ± 0.03°
• γ: 90°
• Cell volume: 2662 ± 2 ų
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No