Information card for entry 1559232

Structure parameters

• Common name: [Co(tacn)(aeaps)](ClO4)3
• Formula: C11 H29 Cl3 Co N5 O12 S
• Calculated formula: C11 Cl3 Co N5 O12 S
• SMILES: [Co]1234([S](CC[NH2]1)CCC[NH2]2)[NH]1CC[NH]4CC[NH]3CC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A Werner-Type Alkyl Cobalt(III) Compound: Formation of a Carbon‒Cobalt Bond Demonstrated by 13C, 59Co NMR and X-Ray Structure Determinations
• Authors of publication: Kofod, Pauli; Larsen, Erik; Larsen, Sine; Petersen, Carsten H.; Springborg, Johan; Wang, Dong-Ni
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 841 - 853
• a: 28.094 ± 0.004 Å
• b: 10.58 ± 0.003 Å
• c: 14.62 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4345.6 ± 1.4 ų
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No