Information card for entry 4324054

Structure parameters

• Formula: C16 H15 Cl3 F5 N W
• Calculated formula: C16 H15 Cl3 F5 N W
• SMILES: [W]1234(Cl)(Cl)(Cl)(=Nc5c(c(c(c(c5F)F)F)F)F)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• 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: 7.3843 ± 0.001 Å
• b: 11.529 ± 0.002 Å
• c: 11.558 ± 0.002 Å
• α: 77.376 ± 0.015°
• β: 80.147 ± 0.015°
• γ: 79.877 ± 0.015°
• Cell volume: 936.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for all reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0542
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No