Information card for entry 7021402

Structure parameters

• Formula: C54 H70 P2 Pb3 S6
• Calculated formula: C54 H70 P2 Pb3 S6
• 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: 20.2754 ± 0.0002 Å
• b: 20.1016 ± 0.0002 Å
• c: 18.9169 ± 0.0002 Å
• α: 90°
• β: 114.68 ± 0.0006°
• γ: 90°
• Cell volume: 7005.65 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No