Information card for entry 7134935

Structure parameters

• Formula: C55.15 H55.58 B F15 K N2 O2.36
• Calculated formula: C55.146 H55.584 B F15 K N2 O2.354
• 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: 10.4085 ± 0.0001 Å
• b: 21.402 ± 0.0003 Å
• c: 23.6416 ± 0.0004 Å
• α: 90°
• β: 95.876 ± 0.001°
• γ: 90°
• Cell volume: 5238.8 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No