Information card for entry 7114856

Structure parameters

• Common name: (iPr4Xan)Zr2Bn6(Et2O)
• Formula: C75 H92 N4 O2 Zr2
• Calculated formula: C75.01 H92 N4 O2 Zr2
• Title of publication: New binucleating ligands to support dizirconium organometallics
• Authors of publication: Hagadorn, John R.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2144
• a: 17.94 ± 0.004 Å
• b: 18.075 ± 0.004 Å
• c: 21.577 ± 0.004 Å
• α: 90°
• β: 105.7 ± 0.03°
• γ: 90°
• Cell volume: 6736 ± 3 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.1721
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No