Information card for entry 4350762

Structure parameters

• Formula: C190 H108 Fe12 La4 N0 O82
• Calculated formula: C190 H108 Fe12 La4 O82
• SMILES: C1(c2cc(ccc2)OC)=[O][La]234567[O]89[Fe]%10%11%12%13[O]%14C(c%15cccc(c%15)OC)=[O][Fe]%15%16%17%18[O]%19%20[Fe]%21%22%23%24[O]%25[Fe]%26%27%28%19[O]%15[Fe]%15%19%25([O]=C(c%25cc(OC)ccc%25)O%28)OC(c%25cc(OC)ccc%25)=[O][La]%25%28%29%30(OC(=[O][La]%31%32%33%34%35([O]%36%25[Fe]%25([O]%10%16)([O]%11[Fe]%10%11([O]%16%31[Fe]%31%37%38([O]%39[Fe]%409([O]%21[Fe]%36%39([O]%32C(c9cccc(c9)OC)=[O]%37)(OC(c9cc(ccc9)OC)=[O]%40)[O]%30C(c9cccc(c9)OC)=[O]%23)([O]3C(c3cccc(c3)OC)=[O]%31)[O]([La]8%14%20(O1)([O]=C(c1cc(ccc1)OC)O%26)([O]=C(c1cc(ccc1)OC)O%27)[O]=C(c1cc(OC)ccc1)O2)C(c1cccc(c1)OC)=[O]%22)[O]1[Fe]2([O]%10[Fe]%161([O]=C(c1cc(ccc1)OC)O%33)([O]=C(c1cc(ccc1)OC)O%35)[O]=C(c1cc(ccc1)OC)O2)([O]=C(c1cc(ccc1)OC)O4)([O]=C(c1cccc(c1)OC)O5)[O]7%11%38)([O]=C(c1cccc(c1)OC)[O]%34%25)[O]=C(c1cccc(c1)OC)[O]6%13)([O]%28C(c1cccc(c1)OC)=[O]%17)[O]=C(c1cc(ccc1)OC)O%12)[O]=C(c1cc(ccc1)OC)O%29)c1cc(OC)ccc1)([O]=C(c1cccc(c1)OC)O%15)[O]%18%24%19.O.O.O
• Title of publication: Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands
• Authors of publication: Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 200
• a: 17.982 ± 0.004 Å
• b: 19.269 ± 0.004 Å
• c: 19.494 ± 0.004 Å
• α: 60.62 ± 0.03°
• β: 68.77 ± 0.03°
• γ: 74.31 ± 0.03°
• Cell volume: 5450 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2064
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.2815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No