Information card for entry 4311961

Structure parameters

• Formula: C28 H48 F3.3 N8 O5.8 P0.55 Re1.45
• Calculated formula: C28 H48 F3.3 N8 O5.8 P0.55 Re1.45
• Title of publication: Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes
• Authors of publication: Theresa I. Kückmann; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7068 - 7074
• a: 10.309 ± 0.002 Å
• b: 20.142 ± 0.003 Å
• c: 18.763 ± 0.003 Å
• α: 90°
• β: 95.63 ± 0.02°
• γ: 90°
• Cell volume: 3877.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1058
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No