Information card for entry 4114486

Structure parameters

• Formula: C87 H180 Cu6 F27 N30 O27 Os2 Re4 S9 Se8
• Calculated formula: C115 H221.94 Cu6 F30 N44 O27 Os1.02 Re4.98 S9 Se8
• Title of publication: Cluster-to-Metal Magnetic Coupling: Synthesis and Characterization of 25-Electron [Re6-nOsnSe8(CN)6](5-n)- (n = 1, 2) Clusters and {Re6-nOsnSe8[CNCu(Me6tren)]6}9+ (n = 0, 1, 2) Assemblies
• Authors of publication: Eric G. Tulsky; Nathan R. M. Crawford; Stéphane A. Baudron; Patrick Batail; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15543 - 15553
• a: 27.1909 ± 0.0004 Å
• b: 27.1909 ± 0.0004 Å
• c: 27.1909 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20103.5 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 10
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.2343
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.2503
• Weighted residual factors for significantly intense reflections: 0.1696
• Goodness-of-fit parameter for all reflections: 1.31
• Goodness-of-fit parameter for significantly intense reflections: 1.554
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No