Information card for entry 4301441

Structure parameters

• Formula: C16 H12 Cu2 N8
• Calculated formula: C16 H12 Cu2 N8
• Title of publication: Synthesis, Crystal Structures, and Photoluminescent Properties of the Cu(I)/X/α,ω-Bis(benzotriazole)alkane Hybrid Family (X = Cl, Br, I, and CN)
• Authors of publication: Man-Cheng Hu; Yan Wang; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Yong Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1449 - 1468
• a: 14.625 ± 0.003 Å
• b: 14.645 ± 0.002 Å
• c: 7.6099 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1629.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No