Information card for entry 4346416

Structure parameters

• Formula: C39 H37 F6 N5 P3 Rh
• Calculated formula: C39 H37 F6 N5 P3 Rh
• SMILES: [Rh]12([P](CN3C=2N(c2c3cccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Toward new organometallic architectures: synthesis of carbene-centered rhodium and palladium bisphosphine complexes. stability and reactivity of [PC(BIm)PRh(L)][PF6] pincers.
• Authors of publication: Plikhta, Andriy; Pöthig, Alexander; Herdtweck, Eberhardt; Rieger, Bernhard
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9517 - 9528
• a: 10.2501 ± 0.0007 Å
• b: 18.5633 ± 0.0013 Å
• c: 20.8712 ± 0.0014 Å
• α: 90°
• β: 101.726 ± 0.003°
• γ: 90°
• Cell volume: 3888.4 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No