Information card for entry 2022391

Structure parameters

• Chemical name: Poly[sodium [tetraaquahydroxidopentaoxido\ bis(μ-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetraacetato)trieuropium(III)] chloride hydrate]
• Formula: C32 H72.64 Cl Eu3 N8 Na O32.04
• Calculated formula: C32 H73.54 Cl Eu3 N8 Na O31.86
• Title of publication: Crystal structure and optical properties of a two-sited Eu^III^ compound: an Eu^III^ ion coordinated by two [Eu^III^(DOTA)]^{-^} complexes (DOTA is 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate)
• Authors of publication: Thomsen, Maria Storm; Madsen, Anders Ø.; Sørensen, Thomas Just
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 7
• a: 9.2252 ± 0.0018 Å
• b: 16.937 ± 0.003 Å
• c: 17.274 ± 0.004 Å
• α: 96.37 ± 0.03°
• β: 92.39 ± 0.03°
• γ: 93.26 ± 0.03°
• Cell volume: 2674.9 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes