Information card for entry 4327118

Structure parameters

• Formula: C69 H57 N O P Re S6
• Calculated formula: C69 H57 N O P Re S6
• Title of publication: The Rhenium Tris(dithiolene) Electron Transfer Series: Calibrating Covalency
• Authors of publication: Stephen Sproules; Thomas Weyhermüller; Richard Goddard; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12623 - 12631
• a: 14.22 ± 0.002 Å
• b: 31.379 ± 0.003 Å
• c: 14.747 ± 0.002 Å
• α: 90°
• β: 116.663 ± 0.008°
• γ: 90°
• Cell volume: 5880.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No