Information card for entry 4100481

Structure parameters

• Formula: C32 H58 Ir N P2
• Calculated formula: C32 H58 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#[N]C1CCCCC1)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: 8.9046 ± 0.0005 Å
• b: 17.4366 ± 0.001 Å
• c: 20.8837 ± 0.0012 Å
• α: 92.292 ± 0.001°
• β: 92.525 ± 0.001°
• γ: 92.968 ± 0.001°
• Cell volume: 3232.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No