Information card for entry 1557278

Structure parameters

• Formula: C55 H68 D3 Eu N2 O6
• Calculated formula: C55 H68 D3 Eu N2 O6
• Title of publication: Multifrequency NMR as an Efficient Tool to Investigate Heterospin Complexes in Solutions.
• Authors of publication: Fishman, Natalya N.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Edeleva, Mariya V.; Fokin, Sergey V.; Romanenko, Galina V.; Ovcharenko, Victor I.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2020
• a: 12.3206 ± 0.0004 Å
• b: 27.4776 ± 0.0009 Å
• c: 17.5732 ± 0.0006 Å
• α: 90°
• β: 104.527 ± 0.0014°
• γ: 90°
• Cell volume: 5759 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No