Information card for entry 7126803

Structure parameters

• Formula: C18 H23 B Cl F4 N2 Rh
• Calculated formula: C18 H23 B Cl F4 N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C)C5C(=[N+]4C)C=CC=CC=5)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[B](F)(F)(F)[F-]
• Title of publication: A tropylium annulated N-heterocyclic carbene.
• Authors of publication: Appel, Sebastian; Brüggemann, Peter; Ganter, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 63
• Pages of publication: 9020 - 9023
• a: 8.0887 ± 0.0004 Å
• b: 20.767 ± 0.001 Å
• c: 11.8752 ± 0.0006 Å
• α: 90°
• β: 106.634 ± 0.002°
• γ: 90°
• Cell volume: 1911.3 ± 0.16 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No