Information card for entry 4334600

Structure parameters

• Formula: C8 H18 Ni O7 Pt S4
• Calculated formula: C8 H18 Ni O7 Pt S4
• SMILES: [Pt]1234[Ni](OC(=[S]1)C)(OC(=[S]2)C)(OC(=[S]3)C)(OC(=[S]4)C)[OH2].O.O
• 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: 8.2929 ± 0.0006 Å
• b: 14.0255 ± 0.001 Å
• c: 16.0661 ± 0.0012 Å
• α: 66.751 ± 0.002°
• β: 88.46 ± 0.002°
• γ: 87.302 ± 0.002°
• Cell volume: 1715 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No