Information card for entry 7042920

Structure parameters

• Formula: C75 H102 N4 Ni4 O18
• Calculated formula: C75 H102 N4 Ni4 O18
• SMILES: C1[O]23[Ni]45([O]67[Ni]2([n]2c(C6)ccc(c2)c2ccc(cc2)C(C)(C)C)([O]26Cc8[n](cc(cc8)c8ccc(cc8)C(C)(C)C)[Ni]872([OH2])[O]25Cc5[n](cc(cc5)c5ccc(cc5)C(C)(C)C)[Ni]362(OC(=O)C)[O]=C(C)O8)([O]=C(O4)C)[OH]C)([n]2c1ccc(c2)c1ccc(cc1)C(C)(C)C)OC(=O)C.CO.CO.O.O
• 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: 12.3023 ± 0.0011 Å
• b: 16.2603 ± 0.0014 Å
• c: 22.3585 ± 0.0018 Å
• α: 102.451 ± 0.002°
• β: 100.521 ± 0.002°
• γ: 109.527 ± 0.002°
• Cell volume: 3955.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No