Information card for entry 1560219

Structure parameters

• Formula: C39 H57 Cl2 F6 P2 Ru Sb
• Calculated formula: C36 H50 Cl F6 P2 Ru Sb
• SMILES: [Sb](F)(F)([F-])(F)(F)F.[Ru]123456(Cl)([P](c7c(C8=C1c1ccccc1[P+]8(C(C)C)C(C)C)cccc7)(C(C)C)C(C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
• Title of publication: A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation
• Authors of publication: Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3693 - 3701
• a: 14.68263 ± 0.00018 Å
• b: 10.27641 ± 0.00016 Å
• c: 28.8561 ± 0.0004 Å
• α: 90°
• β: 94.9221 ± 0.0012°
• γ: 90°
• Cell volume: 4337.89 ± 0.11 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No