Information card for entry 4063076

Structure parameters

• Formula: C43 H43 N3 Zr
• Calculated formula: C43 H43 N3 Zr
• SMILES: [Zr]12(n4c(ccc4C=[N]2c2c(cccc2C)C)C(=[N]1c1c(cccc1C)C)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 11.3951 ± 0.0011 Å
• b: 12.6564 ± 0.0011 Å
• c: 14.1142 ± 0.0011 Å
• α: 83.967 ± 0.003°
• β: 71.381 ± 0.004°
• γ: 69.055 ± 0.003°
• Cell volume: 1801.5 ± 0.3 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 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