Information card for entry 4331509

Structure parameters

• Formula: C6 H12 Br2 Cu3 N3
• Calculated formula: C6 H12 Br2 Cu3 N3
• Title of publication: Two Halogeno(cyano)cuprates with Long-Lived and Strong Luminescence
• Authors of publication: Liu, Xi; Guo,; Wu, A-Qing; Cai, Li-Zhen; Huang, Jin-Shun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4282 - 4286
• a: 8.407 ± 0.003 Å
• b: 12.569 ± 0.004 Å
• c: 13.125 ± 0.006 Å
• α: 90°
• β: 111.579 ± 0.003°
• γ: 90°
• Cell volume: 1289.7 ± 0.9 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No