Information card for entry 1560224

Structure parameters

• Formula: C45 H60 Cl N O2 P2 Pt
• Calculated formula: C41 H52 Cl N O P2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1cccc3)[P](c1c(C3=C2c2ccccc2[P+]3(C(C)C)C(C)C)cccc1)(C(C)C)C(C)C.[Cl-].O1CCCC1
• 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: 18.1766 ± 0.00019 Å
• b: 11.59885 ± 0.00008 Å
• c: 21.4296 ± 0.0002 Å
• α: 90°
• β: 114.947 ± 0.0012°
• γ: 90°
• Cell volume: 4096.41 ± 0.08 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: 0.0408
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• 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