Information card for entry 7705753

Structure parameters

• Formula: C24 H33 B F3 N2 O Rh
• Calculated formula: C24 H33 B F3 N2 O Rh
• SMILES: [Rh]1234([O](C(CN5C=1N(C=C5)c1c(cc(cc1C)C)C)(C)C)[B](F)(F)F)[CH]1=[CH]4CC[CH]2=[CH]3CC1
• 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: 7.6521 ± 0.0006 Å
• b: 12.0807 ± 0.0009 Å
• c: 14.3701 ± 0.001 Å
• α: 65.159 ± 0.007°
• β: 82.202 ± 0.006°
• γ: 83.726 ± 0.007°
• Cell volume: 1192.33 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No