Information card for entry 7700081

Structure parameters

• Formula: C6 H14 Cu3 I5 N2
• Calculated formula: C6 H14 Cu3 I5 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: 18.748 ± 0.003 Å
• b: 8.3956 ± 0.0012 Å
• c: 11.0005 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1731.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No