Information card for entry 1515685

Structure parameters

• Formula: C104 H198 Co8 Gd4 O50 P6
• Calculated formula: C104 H198 Co8 Gd4 O50 P6
• SMILES: [Gd]1234567[O]8[Co]9%10[O]=P(O6)([O]6[Co]%11([O]%12[Co]%13([O]%14[Gd]%15%16%17([O]9=P9([O]%18[Gd]%19%20%21([O]=P%22(O[Co]%23%18[O]%18[Gd]%24%25%26([O]1=P8%18C(C)(C)C)([O]=P([O]1[Co]8([O]%22[Co]([O]=C(O8)C(C)(C)C)(OC(=[O]%19)C(C)(C)C)[O]%20C(=[O]%21)C(C)(C)C)[O]=C(O[Co]1([O]%24C(=[O]%25)C(C)(C)C)[O]=C(O%26)C(C)(C)C)C(C)(C)C)(O%23)C(C)(C)C)([O]=C(O4)C(C)(C)C)OC(=[O]5)C(C)(C)C)C(C)(C)C)([O]%159)([O]=C(O%16)C(C)(C)C)OC(=[O]%17)C(C)(C)C)C(C)(C)C)([O]=P%12(O%10)C(C)(C)C)([O]=C%14C(C)(C)C)OC(=[O]%13)C(C)(C)C)[O]=C(O%11)C(C)(C)C)[O]=C(O[Co]6([O]=C(O2)C(C)(C)C)[O]7C(=[O]3)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Co‒Gd phosphonate complexes as magnetic refrigerants
• Authors of publication: Zheng, Yan-Zhen; Evangelisti, Marco; Winpenny, Richard E. P.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 99
• a: 22.622 ± 0.003 Å
• b: 11.63 ± 0.0017 Å
• c: 30.189 ± 0.004 Å
• α: 90°
• β: 97.612 ± 0.002°
• γ: 90°
• Cell volume: 7872.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2075
• Residual factor for significantly intense reflections: 0.1227
• Weighted residual factors for significantly intense reflections: 0.271
• Weighted residual factors for all reflections included in the refinement: 0.319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No