Information card for entry 7110467

Structure parameters

• Formula: C23 H28 N P Zr
• Calculated formula: C23 H28 N P Zr
• Title of publication: One- and two-step [2 + 2] cycloaddition reactions of group 4 imides with the phosphaalkyne ButCP. Crystal and molecular structures of [Zr(η5-C5H5)2(PCButNC6H3Me2-2,6)] and [TiCl2(P2C2But2NBut)(py)] (py) = pyridine)
• Authors of publication: Cloke, F. Geoffrey N.; Hitchcock, Peter B.; Nixon, John F.; James Wilson, D.; Mountford, Philip
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 661
• a: 11.622 ± 0.003 Å
• b: 21.83 ± 0.008 Å
• c: 8.389 ± 0.004 Å
• α: 90°
• β: 107.01 ± 0.03°
• γ: 90°
• Cell volume: 2035.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1375
• Weighted residual factors for significantly intense reflections: 0.1141
• Goodness-of-fit parameter for all reflections: 0.834
• Goodness-of-fit parameter for significantly intense reflections: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No