Information card for entry 7109023

Structure parameters

• Formula: C20 H37 Co N P2
• Calculated formula: C20 H37 Co N P2
• SMILES: [Co]12([P](Cc3[n]2c(ccc3)C=P1(C(C)C)C(C)C)(C(C)C)C(C)C)C
• 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: 11.086 ± 0.0001 Å
• b: 13.661 ± 0.0003 Å
• c: 28.94 ± 0.0006 Å
• α: 90°
• β: 95.61 ± 0.0012°
• γ: 90°
• Cell volume: 4361.85 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No