Information card for entry 7711387

Structure parameters

• Formula: C16 H44.8 Cl2.52 Eu0.96 N4 O19 Y
• Calculated formula: C16 H44.8 Cl2.52 Eu0.963 N4 O19 Y
• Title of publication: Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms
• Authors of publication: Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.8351 ± 0.0006 Å
• b: 8.8351 ± 0.0006 Å
• c: 41.578 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3245.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No