Information card for entry 4316443

Structure parameters

• Formula: C50 H98 N2 O22 Tm4
• Calculated formula: C50 H98 N2 O22 Tm4
• SMILES: C1C[O]2[Tm]34567([OH]8[Tm]9%10%112([N]1(CC[OH]%11)C)([O](C(C(C)(C)C)=[O]9)[Tm]1298([O]=C(O%10)C(C)(C)C)([OH]7[Tm]78%10([N](CC[O]17)(CC[OH]8)C)([O]5C(C(C)(C)C)=[O]%10)([O]=C(O6)C(C)(C)C)OC(=[O]2)C(C)(C)C)[O]=C(C(C)(C)C)O9)[O]=C(O3)C(C)(C)C)[O]=C(O4)C(C)(C)C
• Title of publication: Series of Isostructural Planar Lanthanide Complexes [LnIII4(μ3-OH)2(mdeaH)2(piv)8] with Single Molecule Magnet Behavior for the Dy4 Analogue
• Authors of publication: Ghulam Abbas; Yanhua Lan; George E. Kostakis; Wolfgang Wernsdorfer; Christopher E. Anson; Annie K. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8067 - 8072
• a: 11.5849 ± 0.0013 Å
• b: 12.441 ± 0.0014 Å
• c: 12.6697 ± 0.0015 Å
• α: 108.982 ± 0.002°
• β: 98.675 ± 0.002°
• γ: 102.879 ± 0.002°
• Cell volume: 1633.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No