Information card for entry 4302567

Structure parameters

• Formula: C45 H54 Co I N3 P3
• Calculated formula: C45 H54 Co I N3 P3
• SMILES: I[Co]([P](c1ccccc1)(c1ccccc1)NC(C)C)([P](c1ccccc1)(c1ccccc1)NC(C)C)[P](c1ccccc1)(c1ccccc1)NC(C)C
• Title of publication: Multielectron Redox Activity Facilitated by Metal-Metal Interactions in Early/Late Heterobimetallics: Co/Zr Complexes Supported by Phosphinoamide Ligands
• Authors of publication: Bennett P. Greenwood; Scott I. Forman; Gerard T. Rowe; Chun-Hsing Chen; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6251 - 6260
• a: 14.8343 ± 0.0004 Å
• b: 14.8343 ± 0.0004 Å
• c: 74.26 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14152.1 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No