Information card for entry 8106739

Structure parameters

• Formula: C26 H17 N2 O9 Y
• Calculated formula: C26 H17 N2 O9 Y
• Title of publication: Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4 O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:O′)yttrium(III)], C26H17N2O9Y
• Authors of publication: Duan, Ying; Zang, Jia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 977 - 978
• a: 8.9349 ± 0.0007 Å
• b: 9.3488 ± 0.0012 Å
• c: 28.1854 ± 0.0018 Å
• α: 90°
• β: 95.061 ± 0.007°
• γ: 90°
• Cell volume: 2345.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No