Information card for entry 4101479

Structure parameters

• Formula: C15 H20 Zr0.5
• Calculated formula: C15 H20 Zr0.5
• Title of publication: Synthesis of bis(indenyl)zirconium dihydrides and subsequent rearrangement to eta5,eta3-4,5-dihydroindenediyl ligands: evidence for intermediates during the hydrogenation to tetrahydroindenyl derivatives.
• Authors of publication: Bradley, Christopher A; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6454 - 6467
• a: 16.1719 ± 0.0007 Å
• b: 9.563 ± 0.0004 Å
• c: 17.0533 ± 0.0006 Å
• α: 90°
• β: 93.25 ± 0.001°
• γ: 90°
• Cell volume: 2633.08 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No