Information card for entry 4316914

Structure parameters

• Formula: C168 H124 Fe12 O62 Sm4
• Calculated formula: C168 H120 Fe12 O62 Sm4
• SMILES: C1(c2ccccc2)=[O][Sm]234567[O]89[Fe]%10%11%12%13[O]%14%15[Fe]%16%17%189[O]9[Fe]%19%20%14([O]%12[Fe]89([O]=C(c8ccccc8)O4)(OC(c4ccccc4)=[O]5)[O]=C(c4ccccc4)O%20)[O]=C(c4ccccc4)O[Sm]4589%15([O]=C(c%12ccccc%12)O%19)[O](C(c%12ccccc%12)=[O]%10)[Fe]%10%12%14%15[O]%11[Fe]%11%19([O]%202[Sm]2%21%22%23(O1)([O]=C(c1ccccc1)O3)[O]%19C(c1ccccc1)=[O][Fe]13%19([O]%14%11)[O]=C(c%11ccccc%11)[O]%15[Sm]%11%14%15%24([O]%251[Fe]1%26%27([O]23[Fe]23([O]1[Fe]%25([O]%192)([O]=C(c1ccccc1)O%14)(OC(c1ccccc1)=[O]%15)[O]=C(c1ccccc1)O3)([O]=C(c1ccccc1)O%23)OC(c1ccccc1)=[O]%21)[O]1[Fe]2%20([O]%18[Fe]1([O]4%12%11)([O]9C(c1ccccc1)=[O]%17)([O]=C(c1ccccc1)O2)[O]%24C(c1ccccc1)=[O]%26)([O]%22C(c1ccccc1)=[O]%27)[O]7C(c1ccccc1)=[O]%16)([O]=C(c1ccccc1)O5)OC(c1ccccc1)=[O]8)([O]=C(c1ccccc1)O%10)[O]6C(c1ccccc1)=[O]%13
• Title of publication: Single-Molecule-Magnet Behavior in a Fe12Sm4 Cluster
• Authors of publication: Yong-Fei Zeng; Guan-Cheng Xu; Xin Hu; Zhuo Chen; Xian-He Bu; Song Gao; E. C. Sañudo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9734 - 9736
• a: 30.759 ± 0.008 Å
• b: 27.983 ± 0.009 Å
• c: 20.604 ± 0.004 Å
• α: 90°
• β: 92.87 ± 0.03°
• γ: 90°
• Cell volume: 17712 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1971
• Residual factor for significantly intense reflections: 0.1399
• Weighted residual factors for significantly intense reflections: 0.269
• Weighted residual factors for all reflections included in the refinement: 0.2927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No