Information card for entry 4301438

Structure parameters

• Formula: C16 H16 Cu2 I2 N6
• Calculated formula: C16 H16 Cu2 I2 N6
• 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: 11.9208 ± 0.0016 Å
• b: 11.9208 ± 0.0016 Å
• c: 27.374 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3890 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No