Information card for entry 4073798

Structure parameters

• Formula: C60 H68 Cl2 N4 Rh2
• Calculated formula: C60 H68 Cl2 N4 Rh2
• SMILES: [Rh]123(Cl)(=C4N(C[C@@H]5C6c7c(cccc7)C([C@H]5CN5C(=[Rh]789(Cl)[CH]%10CC[CH]7=[CH]8CC[CH]9=%10)N(C(C)C)c7ccccc57)c5c6cccc5)c5ccccc5N4C(C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4.c1ccccc1
• 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: 13.5851 ± 0.0016 Å
• b: 16.976 ± 0.002 Å
• c: 22.353 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5155.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No