Information card for entry 1560225

Structure parameters

• Formula: C38 H55 Cl5 F6 P2 Rh Sb
• Calculated formula: C37 H53 Cl3 F6 P2 Rh Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Rh]12345(Cl)([P](c6c(C7=C1c1ccccc1[P+]7(C(C)C)C(C)C)cccc6)(C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.ClCCl
• 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: 8.68119 ± 0.0001 Å
• b: 24.5831 ± 0.0003 Å
• c: 20.7842 ± 0.0003 Å
• α: 90°
• β: 96.7728 ± 0.0011°
• γ: 90°
• Cell volume: 4404.61 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• 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