Information card for entry 7717450

Structure parameters

• Formula: C H Cl0.01 F N P
• Calculated formula: C2.36129 H2.0129 Cl0.0774194 F0.464516 N0.232258 P0.0774194
• Title of publication: Modular synthesis of triphenylphosphine-derived cage ligands for rhodium-catalyzed hydroformylation applications
• Authors of publication: Wang, Wenlong; Li, Cunyao; Wang, Wenhao; Qiu, Yuqin; Lu, Jinlong; Liu, Hongguang; Zhan, Yizhou; Yan, Li; Ding, Yunjie
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 23.8636 ± 0.0012 Å
• b: 23.8636 ± 0.0012 Å
• c: 22.2433 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10969.9 ± 0.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250.01 K
• Number of distinct elements: 6
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.1934
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2522
• Weighted residual factors for all reflections included in the refinement: 0.3238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No