Information card for entry 4327818

Structure parameters

• Formula: C48 H76 Gd4 O28
• Calculated formula: C48 H76 Gd4 O28
• SMILES: C1(=[O]2[Gd]34([O]=C(C=C(C)O3)C)([OH2])([O]3=C(C)[O]5[Gd]6723(O1)(OC(=CC(=[O]7)C)C)(OC(=CC(C)=[O]6)C)[O]1C(=[O]2[Gd]36([O]7C(C)=[O][Gd]895127([O]=C(C=C(O8)C)C)OC(=CC(C)=[O]9)C)([O]=C(C=C(C)O3)C)([O]=C(C)C=C(C)O6)([OH2])[OH2])C)([O]=C(C)C=C(C)O4)[OH2])C
• Title of publication: Polynuclear and Polymeric Gadolinium Acetate Derivatives with Large Magnetocaloric Effect
• Authors of publication: Fu-Sheng Guo; Ji-Dong Leng; Jun-Liang Liu; Zhao-Sha Meng; Ming-Liang Tong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 405 - 413
• a: 11.6327 ± 0.0003 Å
• b: 11.7971 ± 0.0004 Å
• c: 13.6862 ± 0.0003 Å
• α: 106.643 ± 0.001°
• β: 113.051 ± 0.001°
• γ: 102.055 ± 0.001°
• Cell volume: 1542.17 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No