Information card for entry 7134938

Structure parameters

• Formula: C56 H53.5 B Cl0.5 F15 K N2 O2
• Calculated formula: C56 H53.5 B Cl0.5 F15 K N2 O2
• Title of publication: Heavy alkali metal complexes of N-heterocyclic carbenes.
• Authors of publication: Groth, Lucie J.; Bockfeld, Dirk; Tamm, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 81
• Pages of publication: 15806 - 15809
• a: 10.4148 ± 0.0003 Å
• b: 21.3092 ± 0.0006 Å
• c: 23.9266 ± 0.0008 Å
• α: 90°
• β: 96.291 ± 0.003°
• γ: 90°
• Cell volume: 5278.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No