Information card for entry 4349399

Structure parameters

• Formula: C80 H70 Ho4 N4 O21
• Calculated formula: C80 H70 Ho4 N4 O21
• SMILES: C[O]1c2cccc3c2[O]2[Ho]45671([O]18[Ho]9%10%11%12([O]%13c%14c(C=[N]%15C[C@H](C)[N](=C3)[Ho]328%13%15([O]6C(c2ccccc2)=[O]3)[O]=C(c2ccccc2)O[Ho]23681([N](=Cc1cccc(c1[O]53)[O]4C)C[C@H](C)[N]2=Cc1cccc(c1[O]%106)[O]%11C)[O]%12C(c1ccccc1)=[O]8)cccc%14[O]9C)([O]=C(c1ccccc1)O7)OC(=O)c1ccccc1)OC(=O)c1ccccc1.C[O]1c2cccc3c2[O]2[Ho]45671([O]18[Ho]9%10%11%12([O]%13c%14c(C=[N]%15C[C@@H](C)[N](=C3)[Ho]328%13%15([O]6C(c2ccccc2)=[O]3)[O]=C(c2ccccc2)O[Ho]23681([N](=Cc1cccc(c1[O]53)[O]4C)C[C@@H](C)[N]2=Cc1cccc(c1[O]%106)[O]%11C)[O]%12C(c1ccccc1)=[O]8)cccc%14[O]9C)([O]=C(c1ccccc1)O7)OC(=O)c1ccccc1)OC(=O)c1ccccc1
• 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: 14.909 ± 0.002 Å
• b: 15.2038 ± 0.0019 Å
• c: 20.541 ± 0.003 Å
• α: 102.22 ± 0.002°
• β: 106.205 ± 0.002°
• γ: 90.864 ± 0.002°
• Cell volume: 4356.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0635
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No