Information card for entry 8100183

Structure parameters

• Formula: C28 H48 Zr
• Calculated formula: C28 H48 Zr
• SMILES: [Zr]12345678([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)(CCCC)CCCC
• Title of publication: Crystal structure of di(n-butyl)bis(η^5^-pentamethylcyclopentadienyl) zirconium, Zr(C~4~H~9~)~2~(C~10~H~15~)~2~
• 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: 398 - 400
• a: 17.1538 ± 0.0003 Å
• b: 17.2598 ± 0.0003 Å
• c: 17.3568 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5138.85 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No