Information card for entry 4317074

Structure parameters

• Formula: C28 H15 Al Cl2 F15 O Ta
• Calculated formula: C28 H15 Al Cl2 F15 O Ta
• SMILES: [Ta]1234(O[Al](c5c(c(c(c(c5F)F)F)F)F)(c5c(c(c(c(c5F)F)F)F)F)c5c(c(c(c(c5F)F)F)F)F)(Cl)(Cl)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Trapping Unstable Terminal M-O Multiple Bonds of Monocyclopentadienyl Niobium and Tantalum Complexes with Lewis Acids
• Authors of publication: Javier Sánchez-Nieves; Luis M. Frutos; Pascual Royo; Obis Castaño; Eberhardt Herdtweck; Marta E. G. Mosquera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10642 - 10648
• a: 10.7086 ± 0.001 Å
• b: 11.2122 ± 0.001 Å
• c: 14.0319 ± 0.0014 Å
• α: 90.945 ± 0.009°
• β: 110.889 ± 0.007°
• γ: 104.017 ± 0.008°
• Cell volume: 1517.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No