Information card for entry 4062645

Structure parameters

• Formula: C36.5 H35 B Ir N4 O2.5
• Calculated formula: C36.5 H35 B Ir N4 O2.5
• SMILES: [Ir]1([n]2cc[n](c2Cc2[n]1cc[n]2C)C)(C#[O])C#[O].O=C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Intramolecular Hydroamination Catalysed by Cationic Rhodium and Iridium Complexes with Bidentate Nitrogen-donor Ligands
• Authors of publication: Suzanne Burling; Leslie D. Field; Barbara A. Messerle; Peter Turner
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 22.14 ± 0.003 Å
• b: 11.365 ± 0.0014 Å
• c: 28.0281 ± 0.001 Å
• α: 90°
• β: 111.781 ± 0.007°
• γ: 90°
• Cell volume: 6548.9 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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