Information card for entry 7021403

Structure parameters

• Formula: C58 H60 P2 Pb2 S4
• Calculated formula: C58 H60 P2 Pb2 S4
• SMILES: S(c1c(C)cccc1C)[Pb](Sc1c(cccc1C)C)[P](CC[P](c1ccccc1)(c1ccccc1)[Pb](Sc1c(cccc1C)C)Sc1c(cccc1C)C)(c1ccccc1)c1ccccc1
• Title of publication: Structural variation in ethylenediamine and -diphosphine adducts of (2,6-Me2C6H3S)2Pb: a single crystal X-ray diffraction and (207)Pb solid-state NMR spectroscopy study.
• Authors of publication: Rossini, Aaron J.; Macgregor, Alan W.; Smith, Anita S.; Schatte, Gabriele; Schurko, Robert W.; Briand, Glen G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9533 - 9546
• a: 10.0551 ± 0.0002 Å
• b: 11.3774 ± 0.0002 Å
• c: 12.8875 ± 0.0003 Å
• α: 87.0455 ± 0.0009°
• β: 71.5348 ± 0.001°
• γ: 81.6016 ± 0.0007°
• Cell volume: 1383.42 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No