Information card for entry 7109589

Structure parameters

• Formula: C53 H42 Co N3 O3 P2
• Calculated formula: C53 H42 Co N3 O3 P2
• SMILES: [Co](C#N)(C#N)(C#N)(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: [CoI(CN)2(CO)3]^-^, a new discovery from an 80-year-old reactio
• Authors of publication: Wenfeng Lo; Chunhua Hu; Marck Lumeij; Richard Dronskowski; Michael Lovihayeem; Oren Ishal; Jianfeng Jiang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7382
• a: 9.7538 ± 0.0003 Å
• b: 11.1003 ± 0.0003 Å
• c: 21.8916 ± 0.0006 Å
• α: 96.435 ± 0.001°
• β: 95.479 ± 0.001°
• γ: 108.432 ± 0.001°
• Cell volume: 2212.8 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0391
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No