Information card for entry 7207611

Structure parameters

• Formula: C25 H33 Br2 Cu6 N13
• Calculated formula: C7 Br2 Cu6 N7
• 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: 17.0461 ± 0.0006 Å
• b: 21.6229 ± 0.0009 Å
• c: 9.8505 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3630.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No