Information card for entry 4073795

Structure parameters

• Formula: C42 H46 N4 O
• Calculated formula: C42 H46 N4 O
• SMILES: [C]1N(c2c(cccc2)N1C(C)C)C[C@H]1[C@H](CN2[C]N(c3c2cccc3)C(C)C)C2c3ccccc3C1c1ccccc21.C1OCCC1.[C]1N(c2c(cccc2)N1C(C)C)C[C@@H]1[C@@H](CN2[C]N(c3c2cccc3)C(C)C)C2c3ccccc3C1c1ccccc21.C1OCCC1
• 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: 19.3658 ± 0.0011 Å
• b: 15.2156 ± 0.0009 Å
• c: 11.4987 ± 0.0006 Å
• α: 90°
• β: 100.263 ± 0.001°
• γ: 90°
• Cell volume: 3334 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No