Information card for entry 4079686

Structure parameters

• Formula: C18 H40 Cl2 N6 Zr
• Calculated formula: C18 H40 Cl2 N6 Zr
• Title of publication: Migratory Insertion Reactions in Asymmetrical Guanidinate-Supported Zirconium Complexes
• Authors of publication: Fernández-Galán, Rafael; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; López-Solera, Isabel; Otero, Antonio; Serrano-Laguna, Amparo; Villaseñor, Elena
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8360
• a: 14.4783 ± 0.001 Å
• b: 12.1346 ± 0.0009 Å
• c: 15.9903 ± 0.0016 Å
• α: 90°
• β: 116.397 ± 0.003°
• γ: 90°
• Cell volume: 2516.4 ± 0.4 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• 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: 0.1362
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No