Information card for entry 4078846

Structure parameters

• Formula: C22 H29 F6 N5 O6 S2
• Calculated formula: C22 H29 F6 N5 O6 S2
• SMILES: n1(c[n+](cc1)C)Cc1[n+](nn(c1)c1c(cccc1C(C)C)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Unsymmetrical Dicarbenes Based onN-Heterocyclic/Mesoionic Carbene Frameworks: A Stepwise Metalation Strategy for the Generation of a Dicarbene-Bridged Mixed-Metal Pd/Rh Complex
• Authors of publication: Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5463
• a: 15.5497 ± 0.0007 Å
• b: 14.4945 ± 0.0007 Å
• c: 12.9298 ± 0.0006 Å
• α: 90°
• β: 102.301 ± 0.0006°
• γ: 90°
• Cell volume: 2847.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No