Information card for entry 2230394

Structure parameters

• Chemical name: Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6- methoxyphenolato)bis[dinitratodysprosium(III)] methanol disolvate
• Formula: C32 H32 Dy2 N10 O18 S2
• Calculated formula: C32 H32 Dy2 N10 O18 S2
• SMILES: C[O]1c2cccc3c2[O]2[Dy]4567([N](=C3)Nc3[n]4c4ccccc4s3)([O](C)c3cccc4c3[O]5[Dy]35812([N](=C4)Nc1[n]3c2ccccc2s1)(ON(=[O]5)=O)ON(=O)=[O]8)(ON(=[O]6)=O)ON(=O)=[O]7.OC.OC
• Title of publication: Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6-methoxyphenolato)bis[dinitratodysprosium(III)] methanol disolvate
• Authors of publication: Xu, Xuebin; Ding, Shuai; Shen, Si; Tang, Jinkui; Liu, Zhiliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m796 - m797
• a: 9.6191 ± 0.0006 Å
• b: 10.1002 ± 0.0007 Å
• c: 11.6151 ± 0.0008 Å
• α: 112.045 ± 0.001°
• β: 105.065 ± 0.001°
• γ: 93.154 ± 0.001°
• Cell volume: 995.23 ± 0.12 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes