Information card for entry 4060825

Structure parameters

• Common name: Cp*(C5Me4CH2)Zr(C6F5)
• Formula: C26 H29 F5 Zr
• Calculated formula: C26 H29 F5 Zr
• SMILES: [Zr]123456789(c%10c(F)c(F)c(F)c(F)c%10F)(C[c]%101[c]2([c]3([c]4([c]5%10C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C
• Journal of publication: Organometallics
• Year of publication: 2002
• a: 13.7421 ± 0.001 Å
• b: 21.8766 ± 0.0017 Å
• c: 15.5732 ± 0.0012 Å
• α: 90°
• β: 95.011 ± 0.002°
• γ: 90°
• Cell volume: 4663.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No