Information card for entry 4061506

Structure parameters

• Formula: C51 H51 B Ir N2 O P
• Calculated formula: C51 H51 B Ir N2 O P
• SMILES: [Ir]1234(C#[O])([P](CCN5C=4N(C=C5)C)(c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Intramolecular Hydroamination with Rhodium(I) and Iridium(I) Complexes Containing a Phosphine‒N-Heterocyclic Carbene Ligand
• Authors of publication: Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 4241 - 4250
• a: 16.559 ± 0.003 Å
• b: 14.696 ± 0.003 Å
• c: 17.164 ± 0.003 Å
• α: 90°
• β: 99.314 ± 0.003°
• γ: 90°
• Cell volume: 4121.9 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No