Information card for entry 4104030

Structure parameters

• Formula: C36 H48 Cl2 N2 Zr
• Calculated formula: C36 H48 Cl2 N2 Zr
• Title of publication: Catalytic Hydrogenation of Sensitive Organometallic Compounds by Antagonistic N/B Lewis Pair Catalyst Systems
• Authors of publication: Kirill V. Axenov; Gerald Kehr; Roland Fröhlich; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3454 - 3455
• a: 13.6288 ± 0.0002 Å
• b: 17.8192 ± 0.0003 Å
• c: 14.1609 ± 0.0002 Å
• α: 90°
• β: 91.922 ± 0.001°
• γ: 90°
• Cell volume: 3437.1 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No