Information card for entry 4060822

Structure parameters

• Common name: Cp*2Zr(C6F5)H
• Formula: C26 H31 F5 Zr
• Calculated formula: C26 H31 F5 Zr
• SMILES: [ZrH]12345678(c9c(F)c(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: 10.572 Å
• b: 13.8666 ± 0.0002 Å
• c: 16.7893 ± 0.0003 Å
• α: 90°
• β: 102.442 ± 0.001°
• γ: 90°
• Cell volume: 2403.38 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No