Information card for entry 4071913

Structure parameters

• Formula: C32 H26 N4
• Calculated formula: C32 H26 N4
• SMILES: N12[C@H]3C4c5c(cccc5)C(c5ccccc45)[C@@H]3N3C(N(c4c3cccc4)C)=C1N(c1c2cccc1)C.N12[C@@H]3C4c5c(cccc5)C(c5ccccc45)[C@H]3N3C(N(c4c3cccc4)C)=C1N(c1c2cccc1)C
• Title of publication: New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis
• Authors of publication: Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5184 - 5195
• a: 10.5224 ± 0.0007 Å
• b: 38.633 ± 0.003 Å
• c: 11.9173 ± 0.0007 Å
• α: 90°
• β: 102.497 ± 0.001°
• γ: 90°
• Cell volume: 4729.7 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No