Information card for entry 7043527

Structure parameters

• Formula: C35 H35 B Cl F4 N3 P Rh
• Calculated formula: C35 H35 B Cl F4 N3 P Rh
• SMILES: c1[n+](ccn1C(c1ccccc1)[P](c1ccccc1)(c1ccccc1)[Rh]123([CH]4=[CH]3CC[CH]2=[CH]1CC4)Cl)c1ccccn1.[B](F)(F)(F)[F-]
• Title of publication: Manganese-Mediated Synthesis of an NHC Core Non-Symmetric Pincer Ligand and Evaluation of Its Coordination Properties
• Authors of publication: Valyaev, Dmitry A.; Willot, Jérémy; Mangin, Loïc P; Zargarian, Davit; Lugan, Noël
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.2988 ± 0.0002 Å
• b: 13.2821 ± 0.0003 Å
• c: 14.5983 ± 0.0003 Å
• α: 81.853 ± 0.001°
• β: 73.402 ± 0.001°
• γ: 72.649 ± 0.001°
• Cell volume: 1646.1 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No