Information card for entry 4061772

Structure parameters

• Formula: C37 H31 Ir N2 O4
• Calculated formula: C37 H31 Ir N2 O4
• SMILES: [Ir]123(OC(=CC(=[O]1)C)C)([n]1c(c4c2cccc4)c2cc(OC)ccc2cc1)[n]1c(c2c3cccc2)c2cc(OC)ccc2cc1
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 17.1759 ± 0.0014 Å
• b: 17.5288 ± 0.0014 Å
• c: 20.9671 ± 0.0016 Å
• α: 90°
• β: 106.259 ± 0.002°
• γ: 90°
• Cell volume: 6060.2 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No