Information card for entry 4079685

Structure parameters

• Formula: C82.5 H104 Br4 N12 Zr2
• Calculated formula: C82.5 H104 Br4 N12 Zr2
• 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: 9.572 ± 0.001 Å
• b: 17.2005 ± 0.0018 Å
• c: 26.67 ± 0.003 Å
• α: 103.345 ± 0.007°
• β: 93.393 ± 0.008°
• γ: 95.516 ± 0.008°
• Cell volume: 4237.6 ± 0.8 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2367
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No