Information card for entry 7206032

Structure parameters

• Formula: C16 H22 Cu I3 N2
• Calculated formula: C16 H22 Cu I3 N2
• Title of publication: Dielectric anisotropy of the single crystal of isopropylviologen copper(i) triiodide.
• Authors of publication: Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 10781 - 10786
• a: 12.469 ± 0.003 Å
• b: 11.529 ± 0.002 Å
• c: 14.906 ± 0.003 Å
• α: 90°
• β: 91.38 ± 0.03°
• γ: 90°
• Cell volume: 2142.2 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No