Information card for entry 4340000

Structure parameters

• Formula: C147 H47 Au Cl P3
• Calculated formula: C146.999 H47 Au Cl1.00002 P3
• Title of publication: Formation of Hexagonal Fullerene Layers from Neutral and Negatively Charged Fullerenes in {(Ph3P)3Au(+)}2(C60(•-))2(C60)·C6H4Cl2 Containing Gold Cations with the C3v Symmetry.
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Ishikawa, Manabu; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6850 - 6855
• a: 17.176 ± 0.0006 Å
• b: 17.176 ± 0.0004 Å
• c: 101.643 ± 0.011 Å
• α: 90°
• β: 90 ± 0.002°
• γ: 120 ± 0.008°
• Cell volume: 25969 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No