Information card for entry 7706498

Structure parameters

• Formula: C32 H44 Cu4 I4 N4
• Calculated formula: C32 H44 Cu4 I4 N4
• SMILES: [Cu]12345([Cu]6789([Cu]%10%111([Cu]26([I]3%10)([I]7%11)([I]59)[NH2]CCc1ccccc1)([I]48)[NH2]CCc1ccccc1)[NH2]CCc1ccccc1)[NH2]CCc1ccccc1
• Title of publication: Lead-free, stable orange-red-emitting hybrid copper based organic-inorganic compounds.
• Authors of publication: Wang, Le; Sun, Haochen; Sun, Chun; Xu, Da; Tao, Jiaqi; Wei, Tong; Zhang, Zi-Hui; Zhang, Yonghui; Wang, Ziying; Bi, Wengang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2766 - 2773
• a: 10.3866 ± 0.0009 Å
• b: 10.3829 ± 0.0009 Å
• c: 38.197 ± 0.004 Å
• α: 90°
• β: 97.055 ± 0.007°
• γ: 90°
• Cell volume: 4088.1 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.3028
• Weighted residual factors for all reflections included in the refinement: 0.3218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No