Information card for entry 7034317

Structure parameters

• Chemical name: Poly{[aqua(nitrato-k2O,O')(mu4-pyrimidine-4,6-dicarboxylato-k2N,O:k2N',O':kO'':kO''')gadolinium(III)]hydrate}
• Formula: C6 H6 Gd N3 O9
• Calculated formula: C6 H6 Gd N3 O9
• Title of publication: Enhancing luminescence properties of lanthanide(iii)/pyrimidine-4,6-dicarboxylato system by solvent-free approach.
• Authors of publication: Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; García, José Ángel; Lanchas, Mónica; Luque, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6972 - 6986
• a: 15.8956 ± 0.0004 Å
• b: 15.8956 ± 0.0004 Å
• c: 7.6028 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1663.64 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No