Information card for entry 4336868

Structure parameters

• Formula: C14 H26 N2 Ni O6 Pt S4
• Calculated formula: C14 H26 N2 Ni O6 Pt S4
• SMILES: [Pt]1234[Ni]([O]=C(S2)C)([O]=C(S1)C)([O]=C(S3)C)([O]=C(C)S4)[O]=CN(C)C.CN(C)C=O
• 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: 13.0421 ± 0.0002 Å
• b: 10.8041 ± 0.0002 Å
• c: 17.1529 ± 0.0003 Å
• α: 90°
• β: 94.278 ± 0.001°
• γ: 90°
• Cell volume: 2410.25 ± 0.07 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No