Information card for entry 2218487

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua[3-(3-pyridyl)acrylato]gadolinium(III)]- bis[μ-3-(3-pyridyl)acrylato]]
• Formula: C24 H20 Gd N3 O7
• Calculated formula: C24 H20 Gd N3 O7
• SMILES: [Gd]1234(OC(=[O]1)/C=C/c1cccnc1)([O]=C(/C=C/c1cccnc1)O2)(OC(/C=C/c1cccnc1)=O)([OH2])[O]=C([O]3[Gd]12(OC(=[O]1)/C=C/c1cccnc1)([O]=C([O]42)/C=C/c1cccnc1)[OH2])/C=C/c1cccnc1
• Title of publication: <i>catena</i>-Poly[[aqua[3-(3-pyridyl)acrylato]gadolinium(III)]-bis[μ-3-(3-pyridyl)acrylato]]
• Authors of publication: Qiu, Zhi-Hui; Liang, Fu-Pei; Ruan, Qing-Feng; Chen, Zi-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m789
• a: 6.2118 ± 0.0007 Å
• b: 12.7222 ± 0.0014 Å
• c: 15.6601 ± 0.0018 Å
• α: 111.741 ± 0.002°
• β: 90.309 ± 0.002°
• γ: 95.26 ± 0.002°
• Cell volume: 1143.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes