Information card for entry 7700077

Structure parameters

• Formula: C8 H18 Cu2 I4 N2
• Calculated formula: C8 H18 Cu2 I4 N2
• Title of publication: Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.
• Authors of publication: Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10151 - 10159
• a: 9.2225 ± 0.0009 Å
• b: 10.9983 ± 0.0011 Å
• c: 17.4996 ± 0.0014 Å
• α: 90°
• β: 117.861 ± 0.004°
• γ: 90°
• Cell volume: 1569.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No