Information card for entry 7042921

Structure parameters

• Formula: C68 H88 Br4 N4 Ni4 O8
• Calculated formula: C68 H88 Br4 N4 Ni4 O8
• Title of publication: Cuboidal [Ni4O4] cluster as a precursor to recyclable, carbon-supported nickel nanoparticle reduction catalysts
• Authors of publication: Yuan, Yan-Qiu; Yuan, Feng-Ling; Li, Fei-Long; Hao, Zhi-Min; Guo, Jun; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 27.418 ± 0.003 Å
• b: 17.6175 ± 0.0018 Å
• c: 30.949 ± 0.003 Å
• α: 90°
• β: 101.688 ± 0.002°
• γ: 90°
• Cell volume: 14640 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1604
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No