Information card for entry 4073794

Structure parameters

• Formula: C34 H30 N4
• Calculated formula: C34 H30 N4
• SMILES: N1(C2N(c3c1cccc3)C[C@@H]1[C@@H](CN3C=2N(c2c3cccc2)C)C2c3c(C1c1c2cccc1)cccc3)C.N1(C2N(c3c1cccc3)C[C@H]1[C@H](CN3C=2N(c2c3cccc2)C)C2c3c(C1c1c2cccc1)cccc3)C
• 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: 8.3292 ± 0.0006 Å
• b: 35.314 ± 0.003 Å
• c: 8.6567 ± 0.0006 Å
• α: 90°
• β: 93.567 ± 0.002°
• γ: 90°
• Cell volume: 2541.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No