Information card for entry 1563237

Structure parameters

• Formula: C26 H60 Cu2 I6 N4 O2
• Calculated formula: C26 H52 Cu2 I6 N4 O2
• SMILES: C1CC(CC[NH2+]1)CCCC1CC[NH2+]CC1.I[Cu]123[I][Cu]3(I)([I]1)[I]2.[I-].O.O.C1CC(CC[NH2+]1)CCCC1CC[NH2+]CC1
• Title of publication: New organically templated photoluminescence iodocuprates(I)
• Authors of publication: Hou, Qin; Zhao, Jin-Jing; Zhao, Tian-Qi; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 7
• Pages of publication: 1756 - 1760
• a: 22.96 ± 0.003 Å
• b: 15.693 ± 0.003 Å
• c: 11.7964 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4250.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No