Information card for entry 1545363

Structure parameters

• Formula: C40 H44 Gd O8 P Pd2 S8
• Calculated formula: C40 H44 Gd O8 P Pd2 S8
• SMILES: [Gd]123456(OC(=[S][Pd]([S]=C(O1)C)([S]=C(O2)C)[S]=C(O3)C)C)OC(=[S][Pd]([S]=C(O4)C)([S]=C(O5)C)[S]=C(O6)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: 12.8122 ± 0.0007 Å
• b: 12.8122 ± 0.0007 Å
• c: 15.3823 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2525 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0577
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No