Information card for entry 4100963

Structure parameters

• Formula: C39 H53 Br Ir N P2
• Calculated formula: C39 H53 Br Ir N P2
• SMILES: [Ir]12(Br)(N(c3ccc(C)cc3[P]1(C(C)C)C(C)C)c1ccc(C)cc1[P]2(C(C)C)C(C)C)c1ccccc1.c1(ccccc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 15.6084 ± 0.0001 Å
• b: 14.6474 ± 0.0001 Å
• c: 16.0669 ± 0.0001 Å
• α: 90°
• β: 100.084 ± 0.003°
• γ: 90°
• Cell volume: 3616.51 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• 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