Information card for entry 7706497

Structure parameters

• Formula: C32 H44 Cu4 I4 N4
• Calculated formula: C32 H44 Cu4 I4 N4
• SMILES: [I]12[Cu]3456([I]7[Cu]8914([I]1[Cu]4578([I]3[Cu]26914[NH2]CCc1ccccc1)[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: 19.2933 ± 0.0012 Å
• b: 29.3326 ± 0.0018 Å
• c: 7.5241 ± 0.0005 Å
• α: 90°
• β: 94.005 ± 0.002°
• γ: 90°
• Cell volume: 4247.7 ± 0.5 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: 0.1731
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No