Information card for entry 7249652

Structure parameters

• Formula: C10 H18 Cu I3 N4
• Calculated formula: C10 H18 Cu I3 N4
• SMILES: I[Cu]([I-])[I-].n1(c[n+](cc1)C)C.n1(c[n+](cc1)C)C
• Title of publication: Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures
• Authors of publication: Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 38 - 45
• a: 8.1644 ± 0.001 Å
• b: 14.9055 ± 0.0016 Å
• c: 15.8041 ± 0.0018 Å
• α: 90°
• β: 103.034 ± 0.004°
• γ: 90°
• Cell volume: 1873.7 ± 0.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No