Information card for entry 4061426

Structure parameters

• Formula: C52 H44 Cl Ir N2 O
• Calculated formula: C52 H44 Cl Ir N2 O
• SMILES: [Ir]123(Cl)([NH](C4c5c(C=Cc6c4cccc6)cccc5)[C@H]([C@@H]([NH]1C1c4c([CH]2=[CH]3c2c1cccc2)cccc4)c1ccccc1)c1ccccc1)C#[O].c1cccc(c1)C
• Title of publication: Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N‒H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation
• Authors of publication: Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 3207 - 3218
• a: 9.8579 ± 0.0006 Å
• b: 20.2719 ± 0.0012 Å
• c: 11.175 ± 0.0007 Å
• α: 90°
• β: 115 ± 0.001°
• γ: 90°
• Cell volume: 2024 ± 0.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No