Information card for entry 7226757

Structure parameters

• Formula: C37 H38 Cl N2 Rh
• Calculated formula: C37 H38 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N([C@H]([C@H](N4c4c(cccc4)C)c4ccccc4)c4ccccc4)c4c(cccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Methyl and phenyl substituent effects on the catalytic behavior of NHC ruthenium complexes
• Authors of publication: Perfetto, Alessandra; Bertolasi, Valerio; Costabile, Chiara; Paradiso, Veronica; Caruso, Tonino; Longo, Pasquale; Grisi, Fabia
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 98
• Pages of publication: 95793
• a: 20.1677 ± 0.0006 Å
• b: 15.692 ± 0.0004 Å
• c: 21.7767 ± 0.0006 Å
• α: 90°
• β: 100.467 ± 0.0016°
• γ: 90°
• Cell volume: 6777 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No