Information card for entry 4324050

Structure parameters

• Formula: C16 H17 F5 N O2.5 W
• Calculated formula: C16 H15 F5 N O2.5 W
• Title of publication: Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes
• Authors of publication: Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1773 - 1777
• a: 13.246 ± 0.003 Å
• b: 10.043 ± 0.002 Å
• c: 14.102 ± 0.003 Å
• α: 90°
• β: 104.37 ± 0.03°
• γ: 90°
• Cell volume: 1817.3 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No