Information card for entry 4100482

Structure parameters

• Formula: C30 H56 Ir N P2
• Calculated formula: C30 H56 Ir N P2
• SMILES: [IrH]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C)C#[N]C(C)(C)C
• Authors of publication: Lambert, C.; Schelter, J.; Amthor, S.; Coropceanu, V.; Brédas, J.-L.; Gruhn, N. E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.3998 ± 0.0007 Å
• b: 31.751 ± 0.002 Å
• c: 11.3603 ± 0.0008 Å
• α: 90°
• β: 113.128 ± 0.001°
• γ: 90°
• Cell volume: 3118 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No