Information card for entry 4100853

Structure parameters

• Formula: C26 H40 Zr
• Calculated formula: C26 H40 Zr
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Zr]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)CC(C9)CC=C)C)C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 14.9263 ± 0.0002 Å
• b: 11.1737 ± 0.0002 Å
• c: 14.9173 ± 0.0002 Å
• α: 90°
• β: 109.442 ± 0.0008°
• γ: 90°
• Cell volume: 2346.08 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No