Information card for entry 4329871

Structure parameters

• Formula: C43 H54 Ni6 O3
• Calculated formula: C43 H54 Ni6 O3
• Title of publication: Triple C-H Bond Activation of a Nickel-Bound Methyl Group: Synthesis and X-Ray Structure of a Carbide Cluster (NiCp)6(μ6-C)
• Authors of publication: Włodzimierz Buchowicz; Beata Herbaczyńska; Lucjan B. Jerzykiewicz; Tadeusz Lis; Stanisław Pasynkiewicz; Antoni Pietrzykowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8292 - 8297
• a: 15.637 ± 0.004 Å
• b: 15.637 ± 0.004 Å
• c: 9.351 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1980.1 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No