Information card for entry 4060506

Structure parameters

• Formula: C29 H54 Ir2 N2 O P2
• Calculated formula: C29 H54 Ir2 N2 O P2
• SMILES: [IrH2]123([IrH]4([H]1)([P](C(C)C)(C(C)C)C(C)C)([NH]2c1cccc2cccc([NH]34)c12)C#[O])[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
• Authors of publication: Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2722 - 2729
• a: 8.0028 ± 0.0007 Å
• b: 18.7066 ± 0.0017 Å
• c: 21.5672 ± 0.0019 Å
• α: 90°
• β: 100.095 ± 0.002°
• γ: 90°
• Cell volume: 3178.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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