Information card for entry 4078185

Structure parameters

• Formula: C22 H41 B F4 N2 O P Rh
• Calculated formula: C22 H41 B F4 N2 O P Rh
• SMILES: [Rh]12([P](Cc3[n]2c(ccc3)C[N]1(CC)CC)(C(C)(C)C)C(C)(C)C)[O]=C(C)C.[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: 11.156 ± 0.0001 Å
• b: 14.334 ± 0.0002 Å
• c: 16.529 ± 0.0003 Å
• α: 90°
• β: 90.163 ± 0.0006°
• γ: 90°
• Cell volume: 2643.14 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No