Information card for entry 7111067

Structure parameters

• Formula: C26 H39 N3 Zr
• Calculated formula: C26 H39 N3 Zr
• Title of publication: Zirconium complexes of a tacn-derived amido ligand and ring-opening to form a new diamido-amino pincer
• Authors of publication: Giesbrecht, Garth R.; Shafir, Alex; Arnold, John
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2135
• a: 8.881 ± 0.0005 Å
• b: 25.936 ± 0.002 Å
• c: 11.7707 ± 0.0007 Å
• α: 90°
• β: 112.017 ± 0.001°
• γ: 90°
• Cell volume: 2513.5 ± 0.3 ų
• Cell temperature: 164 K
• Ambient diffraction temperature: 164 K
• Number of distinct elements: 4
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0535
• Goodness-of-fit parameter for significantly intense reflections: 1.244
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No