Information card for entry 4088755

Structure parameters

• Common name: PPN[Co(CO)2(CNArMes2)2] Et2O
• Formula: C92 H90 Co N3 O3 P2
• Calculated formula: C92 H90 Co N3 O3 P2
• SMILES: [Co](C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(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.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: 24.377 ± 0.004 Å
• b: 16.575 ± 0.003 Å
• c: 38.687 ± 0.006 Å
• α: 90°
• β: 98.267 ± 0.002°
• γ: 90°
• Cell volume: 15469 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.85 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1836
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No