Information card for entry 7109040

Structure parameters

• Formula: C44 H88 Co Li2 N4 O2
• Calculated formula: C44 H88 Co Li2 N4 O2
• SMILES: [Co]12([N](=C(C(C)(C)C)C(C)(C)C)[Li]([N]1=C(C(C)(C)C)C(C)(C)C)[O]1CCCC1)[N](=C(C(C)(C)C)C(C)(C)C)[Li]([N]2=C(C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Synthesis of a cobalt(IV) ketimide with a squashed tetrahedral geometry
• Authors of publication: Richard A. Lewis; Stephen P. George; Alon Chapovetsky; Guang Wu; Joshua S. Figueroa; Trevor W. Hayton
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2888
• a: 12.4875 ± 0.0018 Å
• b: 19.709 ± 0.002 Å
• c: 19.089 ± 0.003 Å
• α: 90°
• β: 96.876 ± 0.007°
• γ: 90°
• Cell volume: 4664.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No