Information card for entry 1532502

Structure parameters

• Formula: C50 H74 P2 Pd S2
• Calculated formula: C50 H74 P2 Pd S2
• SMILES: [Pd]12(Sc3ccccc3)[P](c3c(C2(Sc2ccccc2)c2c([P]1(C(C)C)C(C)C)cc(cc2)C(C)(C)C)ccc(c3)C(C)(C)C)(C(C)C)C(C)C.CCCCC
• Title of publication: Redox-induced umpolung of transition metal carbenes
• Authors of publication: Cui, Peng; Iluc, Vlad M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 7343
• a: 11.297 ± 0.003 Å
• b: 11.59 ± 0.003 Å
• c: 36.768 ± 0.01 Å
• α: 90°
• β: 92.926 ± 0.004°
• γ: 90°
• Cell volume: 4808 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No