Information card for entry 7711386

Structure parameters

• Formula: C16 H45 Cl2.44 Eu Gd N4 O19
• Calculated formula: C16 H45 Cl2.438 Eu Gd N4 O19
• 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: 8.8814 ± 0.0007 Å
• b: 8.8814 ± 0.0007 Å
• c: 41.505 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3273.9 ± 0.5 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: 0.034
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No