Information card for entry 7134937

Structure parameters

• Formula: C58.79 H59 B F15 N2 O2.4 Rb
• Calculated formula: C58.785 H59 B F15 N2 O2.405 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: 12.6204 ± 0.0004 Å
• b: 20.9998 ± 0.0008 Å
• c: 22.0018 ± 0.0008 Å
• α: 90°
• β: 103.79 ± 0.004°
• γ: 90°
• Cell volume: 5663 ± 0.4 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: 0.0718
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No