Information card for entry 8101765

Structure parameters

• Chemical name: [1,2-ethylene-1,1'-bis(η^5^-tetrahydroindenyl)]-chloro-[η^2^-N,C-3,4,5,6- tetrafluoropyridyl]zirconium(IV)
• Formula: C25 H24 Cl F4 N Zr
• Calculated formula: C25 H24 Cl F4 N Zr
• Title of publication: Crystal structure of [1,2-ethylene-1,1'-bis(η^5^-tetrahydroindenyl)]- chloro-[η^2^-N,C-3,4,5,6-tetrafluoropyridyl]zirconium(IV), ZrCl (C~5~F~4~N)(C~20~H~24~)
• Authors of publication: Spannenberg, A.; Jäger-Fiedler, U.; Arndt, P.; Rosenthal, U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 253 - 254
• a: 9.903 ± 0.002 Å
• b: 11.279 ± 0.002 Å
• c: 20.231 ± 0.004 Å
• α: 90°
• β: 92.43 ± 0.03°
• γ: 90°
• Cell volume: 2257.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No