Information card for entry 7109021

Structure parameters

• Formula: C24 H46 Co I N P2
• Calculated formula: C24 H46 Co I N P2
• SMILES: [Co]12([n]3c(cccc3C[P]2(C(C)(C)C)C(C)(C)C)C[P]1(C(C)(C)C)C(C)(C)C)C.[I-]
• Title of publication: Formal loss of an H radical by a cobalt complex via metal-ligand cooperation
• Authors of publication: Eugene Khaskin; Yael Diskin-Posner; Lev Weiner; Gregory Leitus; David Milstein
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2771
• a: 8.2349 ± 0.0003 Å
• b: 12.3743 ± 0.0004 Å
• c: 14.5566 ± 0.0005 Å
• α: 73.304 ± 0.002°
• β: 76.195 ± 0.002°
• γ: 88.421 ± 0.002°
• Cell volume: 1378.42 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No