Information card for entry 7031832

Structure parameters

• Formula: C86 H73 Au3 N Ni12 O18 P3
• Calculated formula: C86 H73 Au3 N Ni12 O18 P3
• Title of publication: Peraurated nickel carbide carbonyl clusters: the cationic [Ni6(C)(CO)8(AuPPh3)8](2+) monocarbide and the [Ni12(C)(C2)(CO)17(AuPPh3)3](-) anion containing one carbide and one acetylide unit.
• Authors of publication: Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13471 - 13475
• a: 24.132 ± 0.004 Å
• b: 15.619 ± 0.003 Å
• c: 48.35 ± 0.008 Å
• α: 90°
• β: 97.681 ± 0.002°
• γ: 90°
• Cell volume: 18060 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No