Information card for entry 2236876

Structure parameters

• Chemical name: Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato- κ^2^<i>S</i>,<i>S</i>']lead(II)
• Formula: C22 H32 O4 P2 Pb S4
• Calculated formula: C22 H32 O4 P2 Pb S4
• SMILES: [Pb]12([S]=P(S1)(OC(C)C)c1ccc(OCC)cc1)[S]=P(S2)(OC(C)C)c1ccc(OCC)cc1
• Title of publication: Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']lead(II)
• Authors of publication: Sewpersad, Shirveen; Van Zyl, Werner E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1502
• a: 10.2092 ± 0.0008 Å
• b: 11.7016 ± 0.001 Å
• c: 12.9915 ± 0.001 Å
• α: 89.297 ± 0.002°
• β: 85.016 ± 0.002°
• γ: 69.034 ± 0.001°
• Cell volume: 1443.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes