Information card for entry 4061771

Structure parameters

• Formula: C39 H35 Ir N2 O2
• Calculated formula: C39 H35 Ir N2 O2
• SMILES: [Ir]123([O]=C(C=C(O1)C)C)([n]1c(c4c2cc(cc4)C)c2ccccc2cc1C)[n]1c(c2c3cc(cc2)C)c2ccccc2cc1C
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 10.528 ± 0.0009 Å
• b: 15.3837 ± 0.0013 Å
• c: 20.2382 ± 0.0017 Å
• α: 90°
• β: 104.766 ± 0.002°
• γ: 90°
• Cell volume: 3169.5 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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