Information card for entry 4330287

Structure parameters

• Formula: C56 H80 Cl Dy Mn2 N10 O18
• Calculated formula: C56 H76 Cl Dy Mn2 N10 O18
• SMILES: C1(=O)c2cccc3c2[O]2[Mn]4567[N](=C3)CCN(CC[N]4=Cc3cccc4c3[O]6[Dy]36892(O1)[O](C4=O)[Mn]124%10[N](=Cc%11cccc(C(=O)O3)c%11[O]64)CCN(CC[N]1=Cc1cccc(c1[O]%108)C(=O)[O]79)CC[NH2]2)CC[NH2]5.C(C)[NH+](CC)CC.C(C)[NH+](CC)CC.[O-]Cl(=O)(=O)=O.O.O
• Title of publication: From a Dy(III) Single Molecule Magnet (SMM) to a Ferromagnetic [Mn(II)Dy(III)Mn(II)] Trinuclear Complex
• Authors of publication: Asamanjoy Bhunia; Michael T. Gamer; Liviu Ungur; Liviu F. Chibotaru; Annie K. Powell; Yanhua Lan; Peter W. Roesky; Fabian Menges; Christoph Riehn; Gereon Niedner-Schatteburg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9589 - 9597
• a: 10.8248 ± 0.0003 Å
• b: 15.9097 ± 0.0005 Å
• c: 19.8563 ± 0.0006 Å
• α: 77.331 ± 0.003°
• β: 85.548 ± 0.003°
• γ: 73.002 ± 0.002°
• Cell volume: 3190.3 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No