Information card for entry 4031986

Structure parameters

• Formula: C37 H40 B Cl2 F4 N P Rh
• Calculated formula: C36.6667 H39.3333 B Cl1.33333 F4 N P Rh
• SMILES: [Rh]1234([P](c5c(C=[N]1c1c(cc(cc1C)C)C)cccc5)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-].ClCCl
• 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: 9.78588 ± 0.00012 Å
• b: 14.13707 ± 0.00016 Å
• c: 20.6977 ± 0.0003 Å
• α: 105.617 ± 0.0011°
• β: 96.468 ± 0.0011°
• γ: 104.361 ± 0.001°
• Cell volume: 2621.66 ± 0.06 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No