Information card for entry 7045257

Structure parameters

• Formula: C32 H40 Cu6 I10 N4
• Calculated formula: C32 H40 Cu6 I10 N4
• SMILES: C([n+]1ccc(cc1)CCc1cc[n+](cc1)CC)C.[I]1[Cu]234[I][Cu]562([I][Cu]35(I)[I]46)[I][Cu]234[I]5[Cu]613([I]2)[I][Cu]456I.CC[n+]1ccc(cc1)CCc1cc[n+](cc1)CC
• Title of publication: The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.
• Authors of publication: Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2306 - 2317
• a: 9.1833 ± 0.0004 Å
• b: 22.5276 ± 0.0016 Å
• c: 13.3199 ± 0.0007 Å
• α: 90°
• β: 107.183 ± 0.005°
• γ: 90°
• Cell volume: 2632.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1207
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No