Information card for entry 7715686

Structure parameters

• Chemical name: R-CuI
• Formula: C20 H20 Cu2 I2 N2 O2
• Calculated formula: C20 H20 Cu2 I2 N2 O2
• Title of publication: 1D Cu(I)-based chiral organic-inorganic hybrid material with second harmonic generation and circular polarized luminescence.
• Authors of publication: Wu, Zhi-Yuan; Yu, Mu-Xin; Zhang, Zi-Qing; Jiang, Jia-Xin; Liu, Ting; Jiang, Fei-Long; Chen, Lian; Hong, Mao-Chun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7315 - 7320
• a: 8.6981 ± 0.0002 Å
• b: 13.2756 ± 0.0004 Å
• c: 18.4773 ± 0.0004 Å
• α: 90°
• β: 98.763 ± 0.002°
• γ: 90°
• Cell volume: 2108.71 ± 0.09 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No