Information card for entry 7717496

Structure parameters

• Chemical name: Pb(SCN)2
• Formula: C2 N2 Pb S2
• Calculated formula: C2 N2 Pb S2
• Title of publication: Synthesis, XRD and DFT studies on Pb[ChCN]₂ (Ch = O, S, Se) and Pb[SeCN][OH].
• Authors of publication: Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 74 - 88
• a: 9.6128 ± 0.0009 Å
• b: 6.5306 ± 0.0006 Å
• c: 8.1913 ± 0.0007 Å
• α: 90°
• β: 92.734 ± 0.007°
• γ: 90°
• Cell volume: 513.64 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.013
• Residual factor for significantly intense reflections: 0.0124
• Weighted residual factors for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.0304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No