Information card for entry 1507913

Structure parameters

• Formula: C28 H22 N6 Ni2 S4
• Calculated formula: C28 H22 N6 Ni2 S4
• SMILES: [Ni]1234[Ni]56([S]2c2c(C=[N]4N=C(S1)Nc1ccccc1)cccc2)SC(Nc1ccccc1)=N[N]6=Cc1ccccc1[S]35
• Title of publication: Mono- and di-nuclear nickel(II) complexes with mixed N/S-donor ligands: Syntheses, structures and physical properties
• Authors of publication: Panjaa, Anangamohan; Eichhorn, David M
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 391
• Pages of publication: 88 - 92
• a: 27.562 ± 0.005 Å
• b: 7.963 ± 0.003 Å
• c: 13.303 ± 0.004 Å
• α: 90°
• β: 112.298 ± 0.004°
• γ: 90°
• Cell volume: 2701.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No