Information card for entry 4031983

Structure parameters

• Formula: C33 H40 B F4 N P Rh
• Calculated formula: C33 H40 B F4 N P Rh
• SMILES: [Rh]1234([P](C(C=[N]1c1c(cc(cc1C)C)C)(C)C)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-]
• Title of publication: A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.
• Authors of publication: Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2016
• Journal volume: 12
• Pages of publication: 846 - 853
• a: 12.941 ± 0.005 Å
• b: 12.948 ± 0.006 Å
• c: 19.111 ± 0.008 Å
• α: 90°
• β: 106.643 ± 0.01°
• γ: 90°
• Cell volume: 3068 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No