Information card for entry 2102683

Structure parameters

• Chemical name: Trans-(di(N,N-diethyl-(2-phenyldiazenyl)thioformamide-κS,κN^2^))nickel
• Formula: C22 H30 N6 Ni S2
• Calculated formula: C22 H30 N6 Ni S2
• SMILES: [Ni]12([S]=C(N=[N]1c1ccccc1)N(CC)CC)[S]=C(N=[N]2c1ccccc1)N(CC)CC
• Title of publication: Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel
• Authors of publication: Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: 151 - 156
• a: 10.2852 ± 0.0003 Å
• b: 10.2852 ± 0.0003 Å
• c: 22.2862 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2357.55 ± 0.17 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No