Information card for entry 4085663

Structure parameters

• Formula: C78 H128 Al2 Cl2 Si4 Zr
• Calculated formula: C78 H128 Al2 Cl2 Si4 Zr
• Title of publication: Aluminabenzene‒Zirconium Complexes: Intramolecular Coordination of Chloride to Aluminum
• Authors of publication: Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 813
• a: 15.081 ± 0.002 Å
• b: 34.334 ± 0.004 Å
• c: 16.086 ± 0.002 Å
• α: 90°
• β: 109.525 ± 0.0019°
• γ: 90°
• Cell volume: 7850.2 ± 1.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No