Information card for entry 4311960

Structure parameters

• Chemical name: Chlorotetrakis(3,4-dimethyl-2,5-diethylimidazolylidene)oxorhenium(V)- bis(hexafluorophosphate) x 2 KPF6
• Formula: C36 H64 Cl F24 K2 N8 O P4 Re
• Calculated formula: C36 H64 Cl F24 K2 N8 O P4 Re
• 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: 17.098 ± 0.002 Å
• b: 17.098 ± 0.002 Å
• c: 9.673 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2827.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No