Information card for entry 4348937

Structure parameters

• Formula: C73.22 H117.22 Dy Mn4 N12.41 Na O31.59
• Calculated formula: C73.224 H117.224 Dy Mn4 N12.408 Na O31.592
• SMILES: [OH2]1[Mn]2345[O]67[Dy]89%10%11%12([O]%13%14[Mn]%15%16([O](=CN(C)C)[Na]%17%18%1916%13[O]18[Mn]6(OC(=[N]%161)c1c(O%15)cccc1)(Oc1c(C8O[Mn]%13(Oc%15c(C(O2)=[N]7%13)cccc%15)([O]9%17[N]6=8)([O]=C(O%12)C(C)(C)C)[OH2]%19)cccc1)([O]=C(O%11)C(C)(C)C)[OH2]%18)(OC(=[N]5%14)c1c(O3)cccc1)[O]=C(O%10)C(C)(C)C)OC(=[O]4)C(C)(C)C.O.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX₄M 12-Metallacrown-4 Complexes.
• Authors of publication: Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10597 - 10607
• a: 19.124 ± 0.0012 Å
• b: 18.9136 ± 0.0011 Å
• c: 26.0448 ± 0.0017 Å
• α: 90°
• β: 99.528 ± 0.004°
• γ: 90°
• Cell volume: 9290.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No