Information card for entry 2217658

Structure parameters

• Chemical name: Aquatris[6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)picolinato]- κ^6^N,N',O;κO-dysprosium(III) trihydrate
• Formula: C33 H38 Dy N9 O10
• Calculated formula: C33 H38 Dy N9 O10
• SMILES: [Dy]1234([n]5c(C(=O)O3)cccc5n3[n]1c(cc3C)C)([n]1c(C(=O)O4)cccc1n1[n]2c(cc1C)C)(OC(=O)c1nc(n2nc(cc2C)C)ccc1)[OH2].O.O.O
• Title of publication: Aquatris[6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)picolinato]-κ^6^<i>N</i>,<i>N</i>',<i>O</i>;κ<i>O</i>-dysprosium(III) trihydrate
• Authors of publication: Kai, Zhao; Yu, Feng; Yin, Xian-Hong; Jie, Zhu; Lin, Cui-Wu; Zhang, Shan-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m408 - m409
• a: 15.4709 ± 0.0018 Å
• b: 12.8466 ± 0.0012 Å
• c: 18.543 ± 0.002 Å
• α: 90°
• β: 99.741 ± 0.002°
• γ: 90°
• Cell volume: 3632.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0922
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes