Information card for entry 4330286

Structure parameters

• Formula: C46 H72 Dy N9 O24
• Calculated formula: C46 H51 Dy N9 O24
• SMILES: C1(=O)c2cccc3c2O[Dy]2456(O1)(OC(=O)c1cccc(C=NCCN(CCN=C3)CC[NH3+])c1O2)OC(=O)c1cccc(c1O4)C=NCCN(CCN=Cc1cccc(c1O6)C(O5)=O)CC[NH3+].C(C)O.N(=O)(=O)[O-].O.O.O.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: 12.958 ± 0.0003 Å
• b: 15.2 ± 0.0004 Å
• c: 16.468 ± 0.0004 Å
• α: 74.85 ± 0.002°
• β: 66.944 ± 0.002°
• γ: 71.621 ± 0.002°
• Cell volume: 2796.72 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No