Information card for entry 4067321

Structure parameters

• Formula: C34 H58 Cl2 N4 Zr
• Calculated formula: C34 H58 Cl2 N4 Zr
• SMILES: CC1=CC(C)=[N]([Zr]2(N1C1CCCCC1)([N](=C(C)C=C(C)N2C1CCCCC1)C1CCCCC1)(Cl)Cl)C1CCCCC1
• Title of publication: Zirconium Complexes of Symmetric and of Chiral Diketiminate Ligands: Synthesis, Crystal Structures, and Reactivities
• Authors of publication: El-Zoghbi, Ibrahim; Latreche, Saïda; Schaper, Frank
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1551
• a: 20.232 ± 0.0008 Å
• b: 9.0276 ± 0.0004 Å
• c: 22.539 ± 0.001 Å
• α: 90°
• β: 91.25 ± 0.002°
• γ: 90°
• Cell volume: 4115.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No