Information card for entry 4100221

Structure parameters

• Formula: C23 H28 Ir N O4
• Calculated formula: C23 H28 Ir N O4
• SMILES: [Ir]12([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)([n]1ccccc1)CCc1ccccc1
• Authors of publication: Periana, R. A.; Bhalla, G
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.3752 ± 0.0012 Å
• b: 19.188 ± 0.003 Å
• c: 14.088 ± 0.002 Å
• α: 90°
• β: 96.132 ± 0.002°
• γ: 90°
• Cell volume: 2251 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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