Information card for entry 7117221

Structure parameters

• Formula: C30 H24 Cl2 N Ni O3 P
• Calculated formula: C30 H24 Cl2 N Ni O3 P
• SMILES: [Ni](C#N)(C#[O])(C#[O])C#[O].[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Oxidation of carbon monoxide in basic solution catalyzed by nickel cyano carbonyls under ambient conditions and the prototype of a CO-powered alkaline fuel cell
• Authors of publication: Wenfeng Lo; Chunhua Hu; Tyler Berenson; Nathaniel Tracer; Daniel Shlian; Michael Khaloo; Avraham Benhaim; Jianfeng Jiang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9432
• a: 10.2518 ± 0.0006 Å
• b: 11.9007 ± 0.0007 Å
• c: 13.0245 ± 0.0007 Å
• α: 111.438 ± 0.001°
• β: 97.586 ± 0.001°
• γ: 98.593 ± 0.001°
• Cell volume: 1432.11 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No