Information card for entry 8100182

Structure parameters

• Formula: C24 H37 Cl Zr
• Calculated formula: C24 H37 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)C
• Title of publication: Crystal structure of chlorobis(η^5^-pentamethylcyclopentadienyl) (η^3^-2-methyl-2-propenyl)zirconium, Zr(C~4~H~7~)(C~10~H~15~) ~2~Cl
• Authors of publication: Ernst, Richard D.; Harvey, Benjamin G.; Arif, Atta M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 401 - 402
• a: 8.765 ± 0.0001 Å
• b: 9.3278 ± 0.0001 Å
• c: 15.3642 ± 0.0002 Å
• α: 77.5549 ± 0.0006°
• β: 80.6252 ± 0.0007°
• γ: 70.8162 ± 0.0007°
• Cell volume: 1152.73 ± 0.02 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No