Information card for entry 4078186

Structure parameters

• Formula: C21 H39 B F4 N2 P Rh
• Calculated formula: C21 H39 B F4 N2 P Rh
• SMILES: [Rh]123([P](Cc4[n]2c(ccc4)C[N]1(CC)CC)(C(C)(C)C)C(C)(C)C)[CH2]=[CH2]3.[B](F)(F)(F)[F-]
• Title of publication: N‒H Activation by Rh(I) via Metal‒Ligand Cooperation
• Authors of publication: Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4083 - 4101
• a: 7.817 ± 0.0001 Å
• b: 11.8504 ± 0.0002 Å
• c: 13.9795 ± 0.0002 Å
• α: 74.3341 ± 0.001°
• β: 74.2262 ± 0.001°
• γ: 85.5839 ± 0.0006°
• Cell volume: 1199.92 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0334
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No