Information card for entry 7717497

Structure parameters

• Formula: C H N O Pb Se
• Calculated formula: C H N O Pb Se
• 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: 8.6244 ± 0.0002 Å
• b: 4.1674 ± 0.0004 Å
• c: 11.5412 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 414.81 ± 0.05 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• 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