Information card for entry 4336865

Structure parameters

• Formula: C13 H18 N2 Ni O4 Pt S4
• Calculated formula: C13 H18 N2 Ni O4 Pt S4
• SMILES: [Pt]1234[Ni]([O]=C(S1)C)([O]=C(S2)C)([O]=C(S3)C)([O]=C(S4)C)[n]1ccc(N)cc1
• 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: 8.8617 ± 0.0004 Å
• b: 10.6957 ± 0.0004 Å
• c: 11.006 ± 0.0004 Å
• α: 81.964 ± 0.001°
• β: 76.004 ± 0.001°
• γ: 73.162 ± 0.001°
• Cell volume: 966.07 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No