Information card for entry 1560446

Structure parameters

• Formula: C32 H36 Cu4 I4 N8 O0
• Calculated formula: C32 H36 Cu4 I4 N8
• SMILES: c1cn2c([n]1[Cu]134[I]5[Cu]6783([I]1)[I]1[Cu]37([I][Cu]45813[n]1ccn(c1C)Cc1cc(C2)ccc1)[n]1ccn(c1C)Cc1cc(ccc1)Cn1cc[n]6c1C)C
• Title of publication: New copper(I) iodides with bisimidazole molecules: Synthesis, structural characterization and photoluminescence property
• Authors of publication: Wang, Rong-Yan; Zhang, Xiao; Yang, Qing-Feng; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Jia-Ning; Xu, Ji-Qing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 251
• Pages of publication: 176 - 185
• a: 9.827 ± 0.002 Å
• b: 15.592 ± 0.003 Å
• c: 12.954 ± 0.003 Å
• α: 90°
• β: 102.59 ± 0.03°
• γ: 90°
• Cell volume: 1937.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No