Information card for entry 1545362

Structure parameters

• Formula: C40 H44 Er O8 P Pt2 S8
• Calculated formula: C40 H44 Er O8 P Pt2 S8
• SMILES: [Pt]123[S]=C(O[Er]456(OC(=[S][Pt]([S]=C(O4)C)([S]=C(O5)C)[S]=C(O6)C)C)(OC(=[S]1)C)(OC(=[S]2)C)OC(=[S]3)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
• Authors of publication: Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 3566
• a: 12.6367 ± 0.0004 Å
• b: 12.6367 ± 0.0004 Å
• c: 15.1479 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2418.91 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0381
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No