Information card for entry 1514982

Structure parameters

• Formula: C28 H22 Co O5 Pt S4
• Calculated formula: C28 H22 Co O5 Pt S4
• SMILES: C1(c2ccccc2)=[O][Co]234([O]=C(c5ccccc5)S[Pt]4(S1)(SC(c1ccccc1)=[O]2)SC(c1ccccc1)=[O]3)[OH2]
• Title of publication: Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions
• Authors of publication: Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 602
• a: 11.3784 ± 0.0007 Å
• b: 11.822 ± 0.0008 Å
• c: 22.0722 ± 0.0014 Å
• α: 90°
• β: 90.429 ± 0.001°
• γ: 90°
• Cell volume: 2969 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No