Information card for entry 7037467

Structure parameters

• Formula: C38 H46 Cl N2 Rh
• Calculated formula: C38 H46 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N([C@H]([C@H](N4C4CCCCC4)c4ccccc4)c4ccccc4)c4c(cccc4)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Ruthenium olefin metathesis catalysts featuring unsymmetrical N-heterocyclic carbenes.
• Authors of publication: Paradiso, Veronica; Bertolasi, Valerio; Costabile, Chiara; Grisi, Fabia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 561 - 571
• a: 23.2672 ± 0.0006 Å
• b: 14.4735 ± 0.0002 Å
• c: 22.2443 ± 0.0007 Å
• α: 90°
• β: 114.73 ± 0.001°
• γ: 90°
• Cell volume: 6803.9 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No