Information card for entry 7710956

Structure parameters

• Formula: C32 H64 Cl2 Eu2 N8 O22
• Calculated formula: C32 H64 Cl2 Eu2 N8 O22
• Title of publication: Long Story Short: Donor Set Symmetry in Eu.DOTA Crystals Determines the Electronic Structure
• Authors of publication: Storm Thomsen, Maria; Andersen, Helene O. B.; Sørensen, Thomas Just
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.154 ± 0.0011 Å
• b: 15.8407 ± 0.0017 Å
• c: 15.8615 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2300 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0158
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No