Information card for entry 4067361

Structure parameters

• Formula: C25 H20 P2 Pb S2 Se
• Calculated formula: C25 H20 P2 Pb S2 Se
• SMILES: [Pb]12[S]=P(C(P(=[S]1)(c1ccccc1)c1ccccc1)=[Se]2)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, and Reactivity of Group 14 Bis(thiophosphinoyl) Metal Complexes
• Authors of publication: Leung, Wing-Por; Wan, Chi-Ling; Kan, Kwok-Wai; Mak, Thomas C. W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 814
• a: 13.317 ± 0.0019 Å
• b: 10.7311 ± 0.0015 Å
• c: 18.023 ± 0.003 Å
• α: 90°
• β: 107.877 ± 0.003°
• γ: 90°
• Cell volume: 2451.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1539
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No