Information card for entry 7717451

Structure parameters

• Formula: C193 H187 Cl12 F17 N18 O2 P6
• Calculated formula: C192 H182 Cl12 F18 N18 O2 P6
• 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; Liu, Hongguang; Lu, Jinlong; Zhan, Yizhou; Yan, Li; Ding, Yunjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 207 - 214
• a: 15.478 ± 0.006 Å
• b: 17.328 ± 0.008 Å
• c: 20.278 ± 0.009 Å
• α: 76.67 ± 0.03°
• β: 85.24 ± 0.02°
• γ: 64.164 ± 0.015°
• Cell volume: 4762 ± 4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 229.97 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No