Information card for entry 4089711

Structure parameters

• Common name: holkd25
• Formula: C40 H58 Co N3
• Calculated formula: C40 H58 Co N3
• SMILES: [Co]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• 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: 9.4374 ± 0.0015 Å
• b: 17.387 ± 0.003 Å
• c: 21.78 ± 0.003 Å
• α: 90°
• β: 94.162 ± 0.003°
• γ: 90°
• Cell volume: 3564.4 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1121
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No