Information card for entry 7100818

Structure parameters

• Common name: Bis(eta$5!-t-butylcyclopentadienyl)(eta$2!-but-2-yne-1,4- diyl)zirconium
• Formula: C22 H30 Zr
• Calculated formula: C22 H30 Zr
• Title of publication: An experimental electron density study on ``1-zirconacyclopent-3-yne
• Authors of publication: Daisuke Hashizume; Teiji Chihara; Noriyuki Suzuki
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 26.6682 ± 0.0004 Å
• b: 8.816 ± 0.0001 Å
• c: 8.1534 ± 0.0001 Å
• α: 90°
• β: 90.8516 ± 0.0005°
• γ: 90°
• Cell volume: 1916.71 ± 0.04 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 K
• Number of distinct elements: 3
• 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