Information card for entry 4115721

Structure parameters

• Formula: C29 H44 Cl2 N2 Pt S2
• Calculated formula: C29 H44 Cl2 N2 Pt S2
• SMILES: [Pt]12(Nc3c(S1)c(cc(c3)C(C)(C)C)C(C)(C)C)Sc1c(N2)cc(cc1C(C)(C)C)C(C)(C)C.C(Cl)Cl
• Title of publication: Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)
• Authors of publication: Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10012 - 10023
• a: 23.793 ± 0.002 Å
• b: 9.8009 ± 0.0008 Å
• c: 28.039 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6538.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0753
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.0819
• Goodness-of-fit parameter for all reflections: 1.155
• Goodness-of-fit parameter for significantly intense reflections: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No