Information card for entry 4344389

Structure parameters

• Formula: C44 H60 Cr2 N4 O24 Pr2
• Calculated formula: C44 H60 Cr2 N4 O24 Pr2
• SMILES: C1[O]2[Pr]34567([O]=C(c8ccccc8)O[Cr]89%102[N](CC[O]9[Pr]29%11([O]48C)([O]5(C)[Cr]45([N](CC[O]64)(CC[O]25)CCO)(OC(c2ccccc2)=[O]7)[O]=C(O9)c2ccccc2)([O]=C(c2ccccc2)O%10)(ON(=[O]%11)=O)[OH]C)(C1)CCO)([O]=N(=O)O3)[OH]C
• Title of publication: A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.
• Authors of publication: Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10497 - 10503
• a: 8.073 ± 0.0005 Å
• b: 18.1966 ± 0.0012 Å
• c: 17.9681 ± 0.0012 Å
• α: 90°
• β: 95.794 ± 0.002°
• γ: 90°
• Cell volume: 2626 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No