Information card for entry 4074480

Structure parameters

• Formula: C28 H41.5 Cl2 Hf N O2.25
• Calculated formula: C28 H39 Cl2 Hf N O2.25
• Title of publication: Half-Sandwich Group 4 Salicyloxazoline Catalysts
• Authors of publication: Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6019
• a: 9.9224 ± 0.0002 Å
• b: 13.8597 ± 0.0003 Å
• c: 23.0046 ± 0.0005 Å
• α: 90°
• β: 98.59 ± 0.001°
• γ: 90°
• Cell volume: 3128.14 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No