Information card for entry 4334604

Structure parameters

• Formula: C13 H16 N2 O6 Pt S4 Zn
• Calculated formula: C13 H16 N2 O6 Pt S4 Zn
• SMILES: [Pt]1234[Zn](OC(=[S]1)C)(OC(=[S]2)C)(OC(=[S]3)C)(OC(=[S]4)C)[n]1cc(N(=O)=O)ccc1
• Title of publication: Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt...Pt Interactions
• Authors of publication: Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4926 - 4933
• a: 8.4935 ± 0.0005 Å
• b: 12.2649 ± 0.0007 Å
• c: 19.693 ± 0.0011 Å
• α: 90°
• β: 93.712 ± 0.003°
• γ: 90°
• Cell volume: 2047.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No