Information card for entry 4349794

Structure parameters

• Formula: C58 H80 N12 O27 Tb4
• Calculated formula: C58 H80 N12 O27 Tb4
• SMILES: [Tb]123456(Oc7ccc(cc7C=[N]5N=C5[O]1[Tb]1789([O]([Tb]%10%11%12%13%14(Oc%15ccc(cc%15C=[N]%13N=C%13[O]%10[Tb]%10%15%16([O]3c3ccc(cc3C=[N]%16N=C([O]%11%10)C(=[N]%14O)C)C)(OC(=CC(=[O]%15)C)C)([O]4C(=O)[O]8%12)[N](=C%13C)O)C)([OH2])[OH]C)c3ccc(cc3C=[N]9N=C([O]21)C(=[N]6O)C)C)([O]=C(C)C=C(O7)C)[N](=C5C)O)C)([OH2])[OH]C.OC.O.O.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: 16.219 ± 0.002 Å
• b: 22.058 ± 0.003 Å
• c: 21.639 ± 0.003 Å
• α: 90°
• β: 102.577 ± 0.003°
• γ: 90°
• Cell volume: 7555.8 ± 1.7 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.041
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No