Information card for entry 7134936

Structure parameters

• Formula: C49 H43 B F15 N2 O Rb
• Calculated formula: C49 H43 B F15 N2 O Rb
• 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: 10.5897 ± 0.0002 Å
• b: 19.8422 ± 0.0003 Å
• c: 22.0049 ± 0.0004 Å
• α: 90°
• β: 102.005 ± 0.002°
• γ: 90°
• Cell volume: 4522.61 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No