Information card for entry 4077319

Structure parameters

• Formula: C14 H22 Cl2 N4 Zr
• Calculated formula: C14 H22 Cl2 N4 Zr
• SMILES: [Zr]12(Cl)(Cl)(n3cccc3C[N]1(C)C)n1cccc1C[N]2(C)C
• Title of publication: Zirconium Complexes Containing Bidentate Pyrrole Ligands: Synthesis, Structural Characterization, and Ethylene Polymerization
• Authors of publication: Huang, Jui-Hsien; Chi, Liang-Sheng; Yu, Ru-Ching; Jiang, George J.; Yang, Wei-Ta; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5788
• a: 16.6947 ± 0.0002 Å
• b: 10.3351 ± 0.0002 Å
• c: 10.1463 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.66 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0547
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No