Information card for entry 7117222

Structure parameters

• Formula: C20 H40 N4 Ni O2
• Calculated formula: C20 H40 N4 Ni O2
• SMILES: C(#N)[Ni](C#[O])(C#N)C#[O].C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC
• 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: 14.857 ± 0.003 Å
• b: 10.303 ± 0.002 Å
• c: 15.562 ± 0.003 Å
• α: 90°
• β: 99.009 ± 0.002°
• γ: 90°
• Cell volume: 2352.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No