Information card for entry 4061801

Structure parameters

• Formula: C43 H65 Ir N2
• Calculated formula: C43 H65 Ir N2
• SMILES: [Ir]1234567([CH]8=[CH]1CC[CH]2=[CH]3CC8)C1(C(=NC(=C\C(=N/c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)[C]7(=[CH]6[CH]5=[CH]41)C(C)C)C(C)C
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.8294 ± 0.001 Å
• b: 19.165 ± 0.0017 Å
• c: 16.9639 ± 0.0015 Å
• α: 90°
• β: 91.796 ± 0.002°
• γ: 90°
• Cell volume: 3844 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No