Information card for entry 4335696

Structure parameters

• Common name: CoL(tBu)K
• Formula: C39 H54 Co K N7
• Calculated formula: C39 H54 Co K N7
• SMILES: [Co]123[N](CCN1/C(=N/c1ccccc1)C(C)(C)C)(CCN2/C(=N/c1ccccc1)C(C)(C)C)CCN3/C(=N/c1ccccc1)C(C)(C)C.[K+]
• Title of publication: Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds
• Authors of publication: Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9216 - 9228
• a: 20.5683 ± 0.0019 Å
• b: 19.1491 ± 0.0018 Å
• c: 24.29 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9567 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No