Information card for entry 4349603

Structure parameters

• Formula: C4.5 H0 Cu5.25 Ge3 N3 Se9.75
• Calculated formula: C4.5 Cu5.25 Ge3 N3 Se9.75
• Title of publication: PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster
• Authors of publication: Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 387
• a: 13.254 ± 0.0006 Å
• b: 13.254 ± 0.0006 Å
• c: 30.366 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4619.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No