Information card for entry 4062838

Structure parameters

• Formula: C40 H51 Al Zr
• Calculated formula: C40 H51 Al Zr
• SMILES: [C]123[CH]4=[CH](c5ccccc5)[Al]24(CC(C)C)[Zr]2456789%103([C]=1c1ccccc1)([c]1([c]2([c]4([c]5([c]61C)C)C)C)C)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 12.539 ± 0.003 Å
• b: 22.17 ± 0.004 Å
• c: 13.364 ± 0.003 Å
• α: 90°
• β: 111.8 ± 0.03°
• γ: 90°
• Cell volume: 3449.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0912
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No