Information card for entry 4336120

Structure parameters

• Formula: C43 H62 Cl4 Dy2 Mn4 N4 O31
• Calculated formula: C43 H62 Cl4 Dy2 Mn4 N4 O31
• SMILES: C12O[Mn]34(Oc5ccc(cc5C5=[N]3[O]3[Dy]6789([O]4[N]=1[Mn]14([O]9[Mn]9([N]%10[O]7[Mn]7([N]%11[O]6[Dy]63(O5)(OC=%11c3c(O7)ccc(c3)Cl)([OH]C)(OC(=[O]6)C)[OH]C)(OC=%10c3c(ccc(c3)Cl)O9)([OH]C)[OH]C)([O]=C(C)O1)[O]4C)Oc1ccc(cc21)Cl)([OH2])[O]=C(O8)C)Cl)([OH]C)[OH]C.CO.O.OC.O
• Title of publication: Family of Mixed 3d-4f Dimeric 14-Metallacrown-5 Compounds: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Fan Cao; Suna Wang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10747 - 10755
• a: 12.955 ± 0.0011 Å
• b: 12.9788 ± 0.0012 Å
• c: 20.3847 ± 0.0016 Å
• α: 80.478 ± 0.001°
• β: 80.088 ± 0.001°
• γ: 83.603 ± 0.002°
• Cell volume: 3317.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No