Information card for entry 7705754

Structure parameters

• Formula: C24 H33 N2 O Rh
• Calculated formula: C24 H33 N2 O Rh
• SMILES: [Rh]1234(OC(CN5C=1N(c1c(cc(cc1C)C)C)C=C5)(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: A family of rhodium(i) NHC chelates featuring O-containing tethers for catalytic tandem alkene isomerization-hydrosilylation.
• Authors of publication: Srivastava, Ravi; Jakoobi, Martin; Thieuleux, Chloé; Quadrelli, Elsje Alessandra; Camp, Clément
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 869 - 879
• a: 32.883 ± 0.003 Å
• b: 32.883 ± 0.003 Å
• c: 10.4799 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9813.7 ± 1.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections: 0.215
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9704
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No