Information card for entry 4349793

Structure parameters

• Formula: C60 H79 Er4 N13 O25
• Calculated formula: C60 H79 Er4 N13 O25
• SMILES: [Er]123456([O]7[Er]89%10%11%12(Oc%13ccc(cc%13C=[N]%11N=C%11[O]8[Er]8%13%14%15([O]([Er]%16%17%18([O]1C(=N[N]5=Cc1c7ccc(c1)C)C(=[N]%17O)C)(Oc1ccc(cc1C=[N]%18N=C([O]2%16)C(=[N]6O)C)C)([O]%14C(=O)[O]4%10)([O]=CN(C)C)[OH]C)c1ccc(cc1C=[N]%15N=C([O]98)C(=[N]%12O)C)C)(OC(=CC(=[O]%13)C)C)[N](=C%11C)O)C)([OH2])[OH2])[O]=C(C)C=C(O3)C.OC.O
• Title of publication: Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere
• Authors of publication: Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 394
• a: 29.452 ± 0.002 Å
• b: 32.301 ± 0.002 Å
• c: 19.9402 ± 0.0015 Å
• α: 90°
• β: 127.72 ± 0.001°
• γ: 90°
• Cell volume: 15005.2 ± 1.8 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No