Information card for entry 4320683

Structure parameters

• Chemical name: rac-[ethylenebis(4,7-dimethyl-η^5^-1-indenyl)]dimethylzirconium
• Formula: C26 H30 Zr
• Calculated formula: C26 H30 Zr
• SMILES: [Zr]123456789([c]%10([cH]1[cH]2[c]13c(ccc([c]4%101)C)C)CC[c]15[c]29[c]8([cH]7[cH]61)c(ccc2C)C)(C)C
• Title of publication: Group 4 Dimethylmetallocenes: Improved Synthesis and Reactivity Studies
• Authors of publication: Davide Balboni; Isabella Camurati; Giansiro Prini; Luigi Resconi; Simona Galli; Pierluigi Mercandelli; Angelo Sironi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6588 - 6597
• a: 11.29 ± 0.002 Å
• b: 11.942 ± 0.002 Å
• c: 15.458 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No