Information card for entry 7118696

Structure parameters

• Formula: C38 H51 Co N2 O
• Calculated formula: C38 H51 Co N2 O
• SMILES: C([Co]1234(=C5N(C=CN5c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)#[O]
• Title of publication: Cp*Co(IPr): synthesis and reactivity of an unsaturated Co(i) complex.
• Authors of publication: Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2469 - 2472
• a: 23.5831 ± 0.0006 Å
• b: 17.9998 ± 0.0005 Å
• c: 16.1483 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6854.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9884
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No