Information card for entry 4336859

Structure parameters

• Formula: C18 H22 N2 Ni O4 Pt S4
• Calculated formula: C18 H22 N2 Ni O4 Pt S4
• SMILES: C1(C)=[O][Ni]234([O]=C(C)S[Pt]2(S1)(SC(C)=[O]3)SC(C)=[O]4)[n]1ccccc1.n1ccccc1
• Title of publication: Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes
• Authors of publication: Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13562 - 13575
• a: 9.7573 ± 0.0003 Å
• b: 18.2019 ± 0.0005 Å
• c: 13.1832 ± 0.0003 Å
• α: 90°
• β: 97.12 ± 0.001°
• γ: 90°
• Cell volume: 2323.3 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0125
• Residual factor for significantly intense reflections: 0.0124
• Weighted residual factors for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.0303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No