Information card for entry 4349396

Structure parameters

• Formula: C138 H130 N10 O42 Tb8
• Calculated formula: C138 H126 N10 O42 Tb8
• SMILES: COc1cccc2c1[O]1[Tb]345678[O]9c%10c(C=[N]%11[C@H](C[N]%12=Cc%13cccc%14[O](C)[Tb]%15%16%17%18%19([O]%20c%21c(C=[N]%22C[C@@H]([N](=C2)[Tb]2%231%20%22([O]14%16C(O2)=[O][Tb]29%11%121([O]%15c%13%14)([O]7%18)[O]=C(c1ccccc1)O2)([O]6%17)[O]=C(c1ccccc1)O%23)C)cccc%21OC)[O]=C(c1ccccc1)O[Tb]12467([O]9c%11c(cccc%11C=[N]%11[C@H](C)C[N]%12=Cc%13cccc(OC)c%13[O]%13[Tb]%14%15%16%17([O]=C(c%18ccccc%18)O5)([O](C)c5cccc%18c5[O]%14[Tb]5%14%20%21([N](=C%18)C[C@H]([N]5=Cc5cccc([O]2C)c5[O]1%14)C)([O]14%15C(=[O][Tb]29%11%12%131([O]6%16)[O]=C(c1ccccc1)O2)O%20)([O]=C(c1ccccc1)O%21)[O]7%17)[O]=C(c1ccccc1)O8)OC)[O]=C(c1ccccc1)O%19)C)cccc%10[O]3C.N#CC.N#CC
• Title of publication: Enhancement of Magnetocaloric Effect through Fixation of Carbon Dioxide: Molecular Assembly from Ln₄ to Ln₄ Cluster Pairs.
• Authors of publication: Wu, Jianfeng; Li, Xiao-Lei; Zhao, Lang; Guo, Mei; Tang, Jinkui
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 4104 - 4111
• a: 14.504 ± 0.0011 Å
• b: 32.684 ± 0.002 Å
• c: 18.1251 ± 0.001 Å
• α: 90°
• β: 114.844 ± 0.004°
• γ: 90°
• Cell volume: 7797 ± 0.9 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: 0.1178
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No