Information card for entry 7109041

Structure parameters

• Formula: C35 H70 Co Li N3 O4
• Calculated formula: C35 H70 Co Li N3 O4
• SMILES: [Co]1(N=C(C(C)(C)C)C(C)(C)C)([N](=C(C(C)(C)C)C(C)(C)C)[Li]234[O]51CC[O]2CC[O]3CC[O]4CC5)N=C(C(C)(C)C)C(C)(C)C
• 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: 10.8516 ± 0.0011 Å
• b: 13.2752 ± 0.0014 Å
• c: 13.4533 ± 0.0012 Å
• α: 82.003 ± 0.006°
• β: 87.087 ± 0.007°
• γ: 81.136 ± 0.007°
• Cell volume: 1895.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1068
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No