Information card for entry 7226758

Structure parameters

• Formula: C37 H38 Cl N2 Rh
• Calculated formula: C37 H38 Cl N2 Rh
• 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: 8.2473 ± 0.0002 Å
• b: 18.8543 ± 0.0007 Å
• c: 10.5818 ± 0.0003 Å
• α: 90°
• β: 111.131 ± 0.0017°
• γ: 90°
• Cell volume: 1534.8 ± 0.08 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.102
• 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: Yes
• Has Fobs: No