Information card for entry 7041323

Structure parameters

• Formula: C78 H86 Dy2 N8 O14
• Calculated formula: C78 H86 Dy2 N8 O14
• SMILES: c12c3c(ccc1)[O](C)[Dy]1456([O]3[Dy]378([N](=C2)c2ccccc2O3)([O]=C(c2ccccc2)C=C(O8)c2ccccc2)([O]=C(N(C)C)C)[O]5c2c(cccc2[O]7C)C=[N]4c2ccccc2O6)([O]=C(c2ccccc2)C=C(O1)c1ccccc1)[O]=C(N(C)C)C.N(C(=O)C)(C)C.N#CC.N(C(=O)C)(C)C.N#CC
• Title of publication: Transitions of two magnetic interaction states in dinuclear Dy(iii) complexes via subtle structural variations.
• Authors of publication: Zhang, Kun; Liu, Dan; Vieru, Veacheslav; Hou, Lei; Cui, Bin; Guo, Fu-Sheng; Chibotaru, Liviu F.; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 638 - 642
• a: 17.2155 ± 0.0006 Å
• b: 12.4815 ± 0.0004 Å
• c: 17.6745 ± 0.0006 Å
• α: 90°
• β: 106.805 ± 0.004°
• γ: 90°
• Cell volume: 3635.6 ± 0.2 ų
• Cell temperature: 100.06 ± 0.13 K
• Ambient diffraction temperature: 100.06 ± 0.13 K
• Number of distinct elements: 5
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No