Information card for entry 7109588

Structure parameters

• Formula: C29 H20 Co N2 O3 P
• Calculated formula: C29 H20 Co N2 O3 P
• SMILES: C(#N)[Co](C#[O])(C#[O])(C#N)C#[O].c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.042 ± 0.004 Å
• b: 7.3431 ± 0.0013 Å
• c: 13.093 ± 0.002 Å
• α: 90°
• β: 91.215 ± 0.002°
• γ: 90°
• Cell volume: 1253.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No