Information card for entry 4088757

Structure parameters

• Common name: Na(Et2O)[Co(CO)3(CNArMes2)]
• Formula: C32 H35 Co N Na O4
• Calculated formula: C32 H35 Co N Na O4
• SMILES: [Co](C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(C#[O])(C#[O])C#[O][Na][O](CC)CC
• Title of publication: A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation
• Authors of publication: Carpenter, Alex E.; Chan, Chinglin; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2319
• a: 11.2666 ± 0.0014 Å
• b: 12.1163 ± 0.0014 Å
• c: 12.1953 ± 0.0012 Å
• α: 104.217 ± 0.008°
• β: 111.985 ± 0.008°
• γ: 90.688 ± 0.008°
• Cell volume: 1486.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.082
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No