Information card for entry 7109042

Structure parameters

• Formula: C52 H104 Co Li N4 O8
• Calculated formula: C52 H104 Co Li N4 O8
• SMILES: [Co](N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C.C1C[O]2CC[O]3CC[O]4CC[O]1[Li]156234[O]2CC[O]1CC[O]6CC[O]5CC2
• 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: 13.5073 ± 0.0004 Å
• b: 13.5432 ± 0.0004 Å
• c: 16.3252 ± 0.0005 Å
• α: 88.668 ± 0.002°
• β: 74.519 ± 0.002°
• γ: 89.944 ± 0.002°
• Cell volume: 2877.23 ± 0.15 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: 0.0715
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No