Information card for entry 4117843

Structure parameters

• Formula: C56 H72 Au4 Cu4 O8
• Calculated formula: C56 H72 Au4 Cu4 O8
• Title of publication: Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster
• Authors of publication: Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6564 - 6567
• a: 14.2646 ± 0.0013 Å
• b: 14.3128 ± 0.0007 Å
• c: 16.4962 ± 0.0008 Å
• α: 113.804 ± 0.002°
• β: 103.21 ± 0.003°
• γ: 103.317 ± 0.003°
• Cell volume: 2796.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No