Information card for entry 7207612

Structure parameters

• Formula: C29 H39 Br2 Cu7 N14
• Calculated formula: C8 Br2 Cu7 N8
• Title of publication: Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids
• Authors of publication: Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2626
• a: 7.0962 ± 0.0002 Å
• b: 12.4549 ± 0.0007 Å
• c: 13.158 ± 0.0005 Å
• α: 68.16 ± 0.004°
• β: 83.115 ± 0.003°
• γ: 81.834 ± 0.003°
• Cell volume: 1065.68 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No