Information card for entry 7012728

Structure parameters

• Common name: complex 10
• Formula: C30.5 H18 B Cl2 F10 N Ti
• Calculated formula: C30.5 H18 B Cl2 F10 N Ti
• Title of publication: The synthesis of half-sandwich bis(pentafluorophenyl)boryl-substituted cyclopentadienyl zirconium, niobium and tantalum complexes and the isolation and molecular structure of a zwitterionic niobocene
• Authors of publication: Lancaster, Simon J.; Hughes, David L.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1779
• a: 12.545 ± 0.001 Å
• b: 13.546 ± 0.001 Å
• c: 34 ± 0.004 Å
• α: 90°
• β: 95.04 ± 0.01°
• γ: 90°
• Cell volume: 5755.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No