Information card for entry 7717374

Structure parameters

• Formula: C36 H29 B F6 N2 O2 P3 Rh
• Calculated formula: C36 H29 B F6 N2 O2 P3 Rh
• Title of publication: Evidence of boride-borylene ligand-tautomerism leading to a remote C-C-bond and concomitant boryl ligand formation.
• Authors of publication: Wehmeyer, Frerk-Ulfert; Li, Yinwu; Schlossarek, Anne; Ke, Zhuofeng; Langer, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 389 - 395
• a: 10.859 ± 0.002 Å
• b: 9.874 ± 0.002 Å
• c: 33.638 ± 0.007 Å
• α: 90°
• β: 95.65 ± 0.03°
• γ: 90°
• Cell volume: 3589.2 ± 1.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No