Information card for entry 4326241

Structure parameters

• Formula: C24 H38 Dy2 Mn2 N10 O30
• Calculated formula: C24 H38 Dy2 Mn2 N10 O30
• SMILES: C1c2cccc[n]2[Mn]2345[n]6ccccc6C[O]3[Dy]367([OH]4[Mn]489([n]%10c(C[O]64)cccc%10)[n]4ccccc4C[O]8[Dy]46([O]12)([OH]59)([OH2])([OH2])(ON(=[O]4)=O)ON(=[O]6)=O)([OH2])([OH2])(ON(=[O]3)=O)ON(=[O]7)=O.N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: Carboxylate-Free MnIII2LnIII2 (Ln = Lanthanide) and MnIII2YIII2 Complexes from the Use of (2-Hydroxymethyl)pyridine: Analysis of Spin Frustration Effects
• Authors of publication: Constantina Papatriantafyllopoulou; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8959 - 8966
• a: 19.515 ± 0.004 Å
• b: 11.816 ± 0.002 Å
• c: 20.654 ± 0.004 Å
• α: 90°
• β: 101.244 ± 0.01°
• γ: 90°
• Cell volume: 4671.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No