Information card for entry 7202072

Structure parameters

• Formula: C12 H10 Pb S2
• Calculated formula: C12 H10 Pb S2
• Title of publication: Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2
• Authors of publication: Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 968
• a: 27.1492 ± 0.0011 Å
• b: 6.0119 ± 0.0002 Å
• c: 7.2935 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1190.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for significantly intense reflections: 0.027
• 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 probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No