Information card for entry 2108340

Structure parameters

• Formula: Br2 Cu O6 Pb2 Se2
• Calculated formula: Br2 Cu O6 Pb2 Se2
• SMILES: [Pb+2].[Pb+2].[O-][Se](=[O])[O-].[Cu+2].[O-][Se](=O)[O-].[Br-].[Br-]
• Title of publication: Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets
• Authors of publication: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 712 - 724
• a: 6.9097 ± 0.0003 Å
• b: 5.5036 ± 0.0002 Å
• c: 24.8544 ± 0.0009 Å
• α: 90°
• β: 93.808 ± 0.001°
• γ: 90°
• Cell volume: 943.08 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes