Information card for entry 4311963

Structure parameters

• Chemical name: Tetrakis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)dioxorhenium(V) hexafluorophosphate
• Formula: C44 H80 F6 N8 O2 P Re
• Calculated formula: C44 H80 F6 N8 O2 P Re
• SMILES: [Re](=O)(=O)(=C1N(C(C)=C(C)N1C(C)C)C(C)C)(=C1N(C(C)=C(C)N1C(C)C)C(C)C)(=C1N(C(C)=C(C)N1C(C)C)C(C)C)=C1N(C(C)=C(C)N1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.425 ± 0.003 Å
• b: 12.914 ± 0.004 Å
• c: 16.605 ± 0.005 Å
• α: 103.84 ± 0.01°
• β: 104.02 ± 0.01°
• γ: 93.62 ± 0.01°
• Cell volume: 2489.1 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No