Information card for entry 7127095

Structure parameters

• Formula: C50 H75 Nd O8 Pt S4 V
• Calculated formula: C50 H75 Nd O8 Pt S4 V
• SMILES: [Pt]1234[V](=[O][Nd](Oc5c(cccc5C(C)(C)C)C(C)(C)C)(Oc5c(C(C)(C)C)cccc5C(C)(C)C)Oc5c(C(C)(C)C)cccc5C(C)(C)C)(OC(=[S]2)C)(OC(=[S]1)C)(OC(=[S]4)C)OC(=[S]3)C
• Title of publication: Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.
• Authors of publication: Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 75
• Pages of publication: 11062 - 11065
• a: 20.6526 ± 0.0005 Å
• b: 21.3478 ± 0.0004 Å
• c: 25.5068 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11245.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No