Information card for entry 1504419

Structure parameters

• Formula: C14 H18 Cl2 Zr
• Calculated formula: C14 H18 Cl2 Zr
• SMILES: [Zr]12345678(Cl)(Cl)([c]9([cH]4[cH]3[cH]2[cH]19)CCCC)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Zirconocene Immobilization and Activation on MgCl2-Based Supports: Factors Affecting Ethylene Polymerization Activity
• Authors of publication: Huang, Rubin; Duchateau, Robbert; Koning, Cor E.; Chadwick, John C.
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 579
• a: 6.6716 ± 0.0009 Å
• b: 10.4461 ± 0.0015 Å
• c: 21.497 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1498.2 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No