Information card for entry 4062839

Structure parameters

• Formula: C48 H70 Al2 Zr
• Calculated formula: C48 H70 Al2 Zr
• SMILES: [C]1(=[C]23C=[CH](c4ccccc4)[Al](CC(C)C)(CC(C)C)[AlH]2(CC(C)C)[Zr]2456789%1013([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)c1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 12.185 ± 0.002 Å
• b: 12.395 ± 0.002 Å
• c: 16.555 ± 0.003 Å
• α: 74.42 ± 0.03°
• β: 79.57 ± 0.03°
• γ: 69.31 ± 0.03°
• Cell volume: 2242.8 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1089
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No