Information card for entry 2211466

Structure parameters

• Chemical name: Bis[N,N'-bis(octylsulfanyl)glyoximato]nickel(II)
• Formula: C36 H70 N4 Ni O4 S4
• Calculated formula: C36 H70 N4 Ni O4 S4
• SMILES: C1(C(=[N]([Ni]2(N=1=O)N(=C(C(=[N]2O)SCCCCCCCC)SCCCCCCCC)=O)O)SCCCCCCCC)SCCCCCCCC
• Title of publication: Bis[<i>N</i>,<i>N</i>'-bis(octylsulfanyl)glyoximato]nickel(II)
• Authors of publication: Gurol, Ilke; Gumus, Gulay; Yuksel, Fatma; Jeanneau, Erwann; Ahsen, Vefa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3303 - m3305
• a: 50.248 ± 0.005 Å
• b: 5.322 ± 0.005 Å
• c: 16.944 ± 0.005 Å
• α: 90°
• β: 105.536 ± 0.005°
• γ: 90°
• Cell volume: 4366 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.1273
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0635
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes