Information card for entry 7712630

Structure parameters

• Formula: C5 H14 Cu2 I3 N
• Calculated formula: C5 H14 Cu2 I3 N
• Title of publication: A {Cu2I3−}∞ Chain Hybrid with Two-step Phase Transition, Switchable Dielectrics, Thermochromism and Piezochromism
• Authors of publication: Li, Qing-Qing; Pan, Xue-Wei; Zhai, Lu; Zhang, Jin; Ren, Xiaoming
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.3199 ± 0.0008 Å
• b: 17.3332 ± 0.0017 Å
• c: 9.877 ± 0.001 Å
• α: 90°
• β: 94.569 ± 0.003°
• γ: 90°
• Cell volume: 1419.8 ± 0.2 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No