Information card for entry 4088758

Structure parameters

• Common name: PPN[Co(CNArMes2)(CO)3]
• Formula: C70 H60 Co F N2 O3 P2
• Calculated formula: C70 H60 Co F N2 O3 P2
• SMILES: [Co](C#[O])(C#[O])(C#[O])C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.Fc1ccccc1
• 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: 12.5064 ± 0.0007 Å
• b: 15.304 ± 0.0008 Å
• c: 16.2449 ± 0.0009 Å
• α: 106.515 ± 0.002°
• β: 96.958 ± 0.003°
• γ: 96.827 ± 0.002°
• Cell volume: 2920.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No