Information card for entry 4126025

Structure parameters

• Chemical name: 1
• Formula: C16 H40 N4 Ni2 O10
• Calculated formula: C16 H40 N4 Ni2 O10
• SMILES: [Ni]123([O]=CO[Ni]4(OC=O)([OH2]2)([O]=CO1)[N](C)(CC[N]4(C)C)C)(OC=O)[N](CC[N]3(C)C)(C)C.O
• Title of publication: Molecularly Tailored Nickel Precursor and Support Yield a Stable Methane Dry Reforming Catalyst with Superior Metal Utilization.
• Authors of publication: Margossian, Tigran; Larmier, Kim; Kim, Sung Min; Krumeich, Frank; Fedorov, Alexey; Chen, Peter; Müller, Christoph R; Copéret, Christophe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.5693 ± 0.001 Å
• b: 11.1146 ± 0.0011 Å
• c: 21.504 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No