Information card for entry 1514780

Structure parameters

• Formula: C28 H32 F9 La N9 O10 P S4
• Calculated formula: C28 H32 F9 La N9 O10 P S4
• SMILES: [La]12345([N](N(P(=S)(N(C)[N]2=Cc2[n]3cccc2)N(C)[N]4=Cc2[n]5cccc2)C)=Cc2[n]1cccc2)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.O1CCCC1
• 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: 11.106 ± 0.002 Å
• b: 16.93 ± 0.003 Å
• c: 22 ± 0.004 Å
• α: 90°
• β: 91.61 ± 0.03°
• γ: 90°
• Cell volume: 4134.9 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No