Information card for entry 7045256

Structure parameters

• Formula: C12 H40 Cu2 I8 N6 O2
• Calculated formula: C12 H40 Cu2 I8 N6 O2
• SMILES: C1C[NH+](CC[NH2+]1)CC[NH3+].[I]1[Cu]2([I][Cu]12(I)I)(I)I.[I-].O.C1C[NH+](CC[NH2+]1)CC[NH3+].[I-].O
• 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: 9.1994 ± 0.0006 Å
• b: 12.308 ± 0.0007 Å
• c: 14.8217 ± 0.001 Å
• α: 90°
• β: 98.66 ± 0.006°
• γ: 90°
• Cell volume: 1659.07 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No