Information card for entry 7115383

Structure parameters

• Formula: C32 H35 Dy N4 O14 Zn
• Calculated formula: C32 H33 Dy N4 O14 Zn
• SMILES: [Zn]1234[O]=C(C)O[Dy]5678([O]1c1c(cccc1[O]6C)C=[N]4c1ccccc1)([O]2c1c(cccc1[O]7C)C=[N]3c1ccccc1)(ON(=[O]8)=O)ON(=[O]5)=O.OC.OC
• Title of publication: Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion
• Authors of publication: Apoorva Upadhyay; Saurabh Kumar Singh; Chinmoy Das; Ranajit Mondol; Stuart K. Langley; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8838
• a: 11.132 ± 0.005 Å
• b: 12.522 ± 0.006 Å
• c: 13.219 ± 0.006 Å
• α: 105.888 ± 0.001°
• β: 91.753 ± 0.005°
• γ: 94.464 ± 0.006°
• Cell volume: 1764.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No