Information card for entry 7717498

Structure parameters

• Formula: C2 N2 Pb Se2
• Calculated formula: C2 N2 Pb Se2
• Title of publication: Syntheses, XRD- and DFT studies on Pb[ChCN]2 (Ch=O, S, Se) and Pb[SeCN][OH]
• Authors of publication: Shlyaykher, Alena; Zivkovic, Aleksandar; Günther, Hennes; Barba, Anna Lea; De Leeuw, Nora Henriette; Tambornino, Frank
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.479 ± 0.002 Å
• b: 4.2277 ± 0.0009 Å
• c: 10.6523 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 561.99 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No