Information card for entry 7100304

Structure parameters

• Formula: C25 H37 Ir N P
• Calculated formula: C25 H37 Ir N P
• SMILES: [Ir]1234([P](C5C(=Cc6c5cccc6)[N]1(C)C)(C(C)C)C(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Cationic and Zwitterionic Bidentate Relatives of Crabtree's Hydrogenation Catalyst
• Authors of publication: Mark Stradiotto; Judy Cipot; Robert McDonald
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.6714 ± 0.0005 Å
• b: 16.9783 ± 0.0009 Å
• c: 14.508 ± 0.0007 Å
• α: 90°
• β: 109.418 ± 0.0007°
• γ: 90°
• Cell volume: 2246.8 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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