Information card for entry 7022020

Structure parameters

• Formula: C103 H130 Dy2 Fe6 N18 Na2 O44
• Calculated formula: C103 H104 Dy2 Fe6 N18 Na2 O41
• SMILES: c12c3cccc1[O](C)[Na]14([O]2[Fe]256([N](=C3)C3(C[O]2[Fe]2789[O](C3)[Dy]3%10%11%12([O]7CC7([N]%13=Cc%14c([O]1[Fe]%13(N=N#N)([O]2C7)([O]5C)[O]68C)c(ccc%14)[O]4C)CO)(OC(=[O][Dy]12(OC(=[O][Fe]4567[O]8(C)[Fe]%13%14%15([N](=Cc%16c%17c(ccc%16)[O](C)[Na]%16([OH]C)([O]%14%17)[O]%14c%17c(cccc%17[O]%16C)C=[N]%16C(C[O]6[Fe]8%14%16([O]%13C)N=N#N)(C[O]27)CO)C(C[O]4%15)(C[O]15)CO)N=N#N)c1ccccc1)(OC(=[O]3)c1ccccc1)([O]=C(O%10)c1ccccc1)[O]%11C(=[O]%12)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)O9)CO)N=N#N)[OH]C.CO.CO.CO.CC#N.CC#N
• Title of publication: Synthesis, structures, and magnetic properties of a family of 3d-4f [Na2Fe6Ln2] complexes (Ln = Y, Gd and Dy): effect of ligands on the connection of inorganic subunits.
• Authors of publication: Zhou, Qi; Yang, Fen; Liu, Dan; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 1039 - 1046
• a: 23.567 ± 0.005 Å
• b: 23.458 ± 0.005 Å
• c: 29.624 ± 0.006 Å
• α: 90°
• β: 121.65 ± 0.03°
• γ: 90°
• Cell volume: 13941 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No