Information card for entry 7012727

Structure parameters

• Common name: complex 9
• Formula: C35.5 H29 B Cl3 F10 Nb Si
• Calculated formula: C35.369 H25 B Cl3 F10 Nb Si
• 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: 9.601 ± 0.002 Å
• b: 14.492 ± 0.004 Å
• c: 15.252 ± 0.008 Å
• α: 116.58 ± 0.03°
• β: 99.6 ± 0.02°
• γ: 96.39 ± 0.01°
• Cell volume: 1829.2 ± 1.3 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.0465
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No