Information card for entry 4327405

Structure parameters

• Chemical name: Cesium Bromocyanocuprate
• Formula: C3 Br Cs Cu3 N3
• Calculated formula: C3 Br Cs Cu3 N3
• Title of publication: Bending, Twisting, and Breaking CuCN Chains to Produce Framework Materials: The Reactions of CuCN with Alkali-Metal Halides
• Authors of publication: Ann M. Chippindale; Simon J. Hibble; Andrew R. Cowley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8040 - 8048
• a: 10.461 ± 0.0005 Å
• b: 10.461 ± 0.0005 Å
• c: 13.982 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1325.09 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No