Information card for entry 7012731

Structure parameters

• Common name: complex 16
• Formula: C27 H14 B Cl4 F10 N2 Nb
• Calculated formula: C27 H11.9 B Cl3.85 F10.075 N2 Nb
• 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: 18.553 ± 0.002 Å
• b: 15.695 ± 0.001 Å
• c: 21.135 ± 0.002 Å
• α: 90°
• β: 112.14 ± 0.01°
• γ: 90°
• Cell volume: 5700.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No