Information card for entry 1558409

Structure parameters

• Common name: [Co(tacn-mu-N)(daes-mu2-N1,N2)Co(tacn)](ClO4.H2O)
• Formula: C16 H41 Cl3 Co2 N8 O13 S
• Calculated formula: C16 Cl3 Co2 N8 O13 S
• SMILES: [Co]12345[S]6CC[NH]1[Co]17([NH]4CC6)([N]45CC[NH]2CC[NH]3CC4)[NH]2CC[NH]1CC[NH]7CC2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Syntheses in Aqueous Solution and Crystal Structure of a Triamido-Bridged Dicobalt(III) Complex with the Ligands 1,4,7-Triazacyclononane and 3-Thiapentane-1,5-diamine
• Authors of publication: Kofod, Pauli; Larsen, Erik; Larsen, Sine; Wang, Dong-Ni; Springborg, Johan; Paulsen, Gudrun B.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 283 - 289
• a: 15.289 ± 0.003 Å
• b: 21.392 ± 0.004 Å
• c: 17.834 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5832.8 ± 1.9 ų
• Ambient diffraction temperature: 122 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: 0.028
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No