Information card for entry 4100483

Structure parameters

• Formula: C28 H52 Ir N P2
• Calculated formula: C28 H52 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]CC)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: 23.2568 ± 0.0017 Å
• b: 21.2282 ± 0.0016 Å
• c: 14.2049 ± 0.001 Å
• α: 90°
• β: 123.311 ± 0.001°
• γ: 90°
• Cell volume: 5860.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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