Information card for entry 4349395

Structure parameters

• Formula: C134 H128 Gd8 N8 O44
• Calculated formula: C134 H114 Gd8 N8 O44
• SMILES: COc1cccc2c1[O]1[Gd]345678[O]9c%10c(cccc%10[O]3C)C=[N]3[C@H](C[N]%10=Cc%11cccc%12c%11[O]%11[Gd]%13%14%15%16([O]%17c%18c(C=[N]%19[C@@H](C[N](=C2)[Gd]2%201%17%19([O]=C(O2)c1ccccc1)([O]=C1[O]4%13%20[Gd]293%10%11(O1)([O]6%15)[O]=C(c1ccccc1)O2)[O]5%14)C)cccc%18OC)([O]%12C)[O]=C(c1ccccc1)O[Gd]12345([O]6c9c(cccc9C=[N]9C[C@@H]([N]%10=Cc%11cccc(OC)c%11[O]%11[Gd]%12%13%14%15([O]%17%181C(=[O][Gd]169%10%11%18([O]=C(O1)c1ccccc1)[O]2%12)O[Gd]1269%17([N]([C@@H](C[N]1=Cc1cccc(c1[O]%152)[O]%14C)C)=Cc1cccc(c1[O]46)[O]5C)([O]3%13)[O]=C(c1ccccc1)O9)([O]=C(c1ccccc1)O7)OC(c1ccccc1)=[O]8)C)OC)[O]=C(c1ccccc1)O%16)C.O.O
• 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: 14.6207 ± 0.0011 Å
• b: 17.9294 ± 0.0014 Å
• c: 19.3581 ± 0.0016 Å
• α: 66.04 ± 0.001°
• β: 74.928 ± 0.001°
• γ: 66.244 ± 0.001°
• Cell volume: 4216 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No