Information card for entry 4073792

Structure parameters

• Formula: C42 H48 F6 N4 O8 S3
• Calculated formula: C36 H32 F6 N4 O6 S2
• SMILES: n1(c[n+](C[C@@H]2C3c4ccccc4C(c4c3cccc4)[C@H]2C[n+]2cn(c3c2cccc3)C)c2ccccc12)C.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.n1(c[n+](C[C@H]2C3c4ccccc4C(c4c3cccc4)[C@@H]2C[n+]2cn(c3c2cccc3)C)c2ccccc12)C.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Mono- and Bimetallic Rhodium(I) Complexes Supported by NewC2-Symmetric Bis-N-heterocyclic Carbene Ligands: Metalation via CC Bond Cleavage under Mild Conditions
• Authors of publication: Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5267
• a: 8.9058 ± 0.0006 Å
• b: 15.2241 ± 0.0011 Å
• c: 17.3077 ± 0.0012 Å
• α: 79.338 ± 0.001°
• β: 88.105 ± 0.001°
• γ: 89.178 ± 0.001°
• Cell volume: 2304.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No