Information card for entry 7718837

Structure parameters

• Formula: C9.29 H9.03 B0.13 F3.1 Ir0.13 N0.39 O0.13 P0.13
• Calculated formula: C9.29032 H9.03226 B0.129032 F3.09677 Ir0.129032 N0.387097 O0.129032 P0.129032
• Title of publication: Chiral CNN pincer Ir(III)-H complexes. Transient ligand and counterion influences in the asymmetric hydrogenation of imines and quinolines.
• Authors of publication: Wen, Yisong; Cabré, Albert; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10246 - 10253
• a: 13.105 ± 0.0002 Å
• b: 20.1498 ± 0.0003 Å
• c: 27.2687 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7200.66 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No