Information card for entry 8100255

Structure parameters

• Formula: C23 H35 Cl Zr
• Calculated formula: C23 H35 Cl Zr
• SMILES: [Zr]12345678(Cl)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)CC=C
• Title of publication: Crystal structure of chlorobis(η^5^-pentamethylcyclopentadienyl) (η^1^-2-propenyl)zirconium, C~23~H~35~ClZr
• Authors of publication: Ernst, Richard D.; Harvey, Benjamin G.; Arif, Atta M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 1
• Pages of publication: 47 - 48
• a: 8.6485 ± 0.0001 Å
• b: 26.9339 ± 0.0005 Å
• c: 9.9577 ± 0.0002 Å
• α: 90°
• β: 112.327 ± 0.0009°
• γ: 90°
• Cell volume: 2145.63 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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