Information card for entry 7111065

Structure parameters

• Formula: C12 H26 Cl3 N3 Zr
• Calculated formula: C12 H26 Cl3 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: 7.517 ± 0.001 Å
• b: 10.144 ± 0.001 Å
• c: 22.79 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.8 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0316
• Goodness-of-fit parameter for significantly intense reflections: 0.76
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No