Information card for entry 4060823

Structure parameters

• Common name: Cp*2Zr(o-C6F4H)F
• Formula: C26 H31 F5 Zr
• Calculated formula: C26 H31 F5 Zr
• SMILES: [Zr]12345678(F)(c9cc(F)c(F)c(F)c9F)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Journal of publication: Organometallics
• Year of publication: 2002
• a: 10.0632 ± 0.0004 Å
• b: 21.739 ± 0.0009 Å
• c: 10.9645 ± 0.0005 Å
• α: 90°
• β: 92.996 ± 0.001°
• γ: 90°
• Cell volume: 2395.36 ± 0.18 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