Information card for entry 4089710

Structure parameters

• Common name: holkd13
• Formula: C40 H58 Co F N3
• Calculated formula: C40 H58 Co F N3
• SMILES: [Co]1(F)([n]2ccccc2)[N](=C(C(C)(C)C)C=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, Properties, and Reactivity of Diketiminate-Supported Cobalt Fluoride Complexes
• Authors of publication: Ding, Keying; Dugan, Thomas R.; Brennessel, William W.; Bill, Eckhard; Holland, Patrick L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6650
• a: 12.1071 ± 0.0018 Å
• b: 18.244 ± 0.003 Å
• c: 18.468 ± 0.003 Å
• α: 89.74 ± 0.002°
• β: 77.893 ± 0.002°
• γ: 75.628 ± 0.002°
• Cell volume: 3858.8 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No