Information card for entry 7718838

Structure parameters

• Formula: C218 H209 B3 F72 Ir3 N9 O3.5 P3
• Calculated formula: C218 H209 B3 F72 Ir3 N9 O3.5 P3
• 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: 13.52384 ± 0.00016 Å
• b: 14.17502 ± 0.00016 Å
• c: 28.9261 ± 0.0003 Å
• α: 99.845 ± 0.001°
• β: 90.5121 ± 0.001°
• γ: 93.7691 ± 0.001°
• Cell volume: 5450.53 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No