Information card for entry 1514781

Structure parameters

• Formula: C54 H61 F18 N19 O19 P2 S8 Sm2
• Calculated formula: C54 H61 F18 N19 O19 P2 S8 Sm2
• Title of publication: Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
• Authors of publication: Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3717
• a: 9.764 ± 0.002 Å
• b: 19.857 ± 0.004 Å
• c: 22.899 ± 0.005 Å
• α: 90°
• β: 97.37 ± 0.03°
• γ: 90°
• Cell volume: 4403.1 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No