Information card for entry 4101900

Structure parameters

• Formula: C56 H52 Be F6 N6 O17 Re2 S2
• Calculated formula: C56 H52 Be F6 N6 O17 Re2 S2
• Title of publication: Orbital-Specific Energy Transfer
• Authors of publication: Troy E. Knight; James K. McCusker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2208 - 2221
• a: 18.7639 ± 0.0003 Å
• b: 16.9382 ± 0.0003 Å
• c: 21.0542 ± 0.0004 Å
• α: 90°
• β: 106.241 ± 0.001°
• γ: 90°
• Cell volume: 6424.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No