Information card for entry 4061424

Structure parameters

• Formula: C44 H49 N2 O2 Rh
• Calculated formula: C44 H49 N2 O2 Rh
• SMILES: [Rh]12345N(C6c7c([CH]2=[CH]3c2c6cccc2)cccc7)[C@H]2[C@H]([NH]1C1c3c([CH]4=[CH]5c4c1cccc4)cccc3)CCCC2.O1CCCC1.O1CCCC1
• 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: 13.1017 ± 0.0008 Å
• b: 15.3873 ± 0.0009 Å
• c: 17.6382 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3555.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No