Information card for entry 4073797

Structure parameters

• Formula: C54 H64 Cl2 N4 O Rh2
• Calculated formula: C50 H54 Cl2 N4 Rh2
• SMILES: [CH]12CC[CH]3=[CH]4CC[CH]=1[Rh]234(=C1N(C)c2ccccc2N1C[C@@H]1[C@@H](CN2C(N(C)c3ccccc23)=[Rh]234([CH]5CC[CH]2=[CH]3CC[CH]4=5)Cl)C2c3c(C1c1c2cccc1)cccc3)Cl
• 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: 11.9962 ± 0.0003 Å
• b: 11.9962 ± 0.0003 Å
• c: 28.3024 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3527.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No