Information card for entry 4317075

Structure parameters

• Formula: C26 H13 B Cl2 F15 Nb O Si
• Calculated formula: C26 H13 B Cl2 F15 Nb O Si
• SMILES: [Nb]1234(Cl)(Cl)(O[B](c5c(F)c(F)c(F)c(F)c5F)(c5c(F)c(F)c(F)c(F)c5F)c5c(F)c(F)c(F)c(F)c5F)[c]5([cH]1[cH]2[cH]3[cH]45)[Si](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: 10.9783 ± 0.0001 Å
• b: 11.7477 ± 0.0001 Å
• c: 12.4249 ± 0.0001 Å
• α: 88.2373 ± 0.0005°
• β: 86.5981 ± 0.0005°
• γ: 70.7876 ± 0.0003°
• Cell volume: 1510.42 ± 0.02 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No