Information card for entry 4348934

Structure parameters

• Formula: C71 H78 Dy Mn4 N9 Na O32
• Calculated formula: C71 H78 Dy Mn4 N9 Na O32
• SMILES: [Dy]1234567[O]89[Mn]%10%11%12(OC%13=[N]9[Mn]9(Oc%14c%13cccc%14)([O]%131[Na]1%14%158([O]82[Mn]2(Oc%16c(C(O9)=[N]%132)cccc%16)(OC2=[N]8[Mn]8(Oc9c2cccc9)([O]31[N]%12=C(O8)c1ccccc1O%10)([O]=C(c1ccccc1O)O6)[OH2]%15)([O]=C(O5)c1ccccc1O)[OH2]%14)[OH2]%11)([O]=C(O4)c1ccccc1O)[O]=CN(C)C)[O]=C(O7)c1ccccc1O.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: 23.492 ± 0.005 Å
• b: 24.27 ± 0.005 Å
• c: 14.322 ± 0.003 Å
• α: 90°
• β: 91.621 ± 0.004°
• γ: 90°
• Cell volume: 8162 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No