Information card for entry 2202073

Structure parameters

• Chemical name: Tris(N,N-diethyldithiocarbamato-κ^2^S,S')nickel(II)
• Formula: C15 H30 N3 Ni S6
• Calculated formula: C15 H30 N3 Ni S6
• SMILES: C1(N(CC)CC)=[S][Ni]23([S]=C(N(CC)CC)S2)(S1)[S]=C(N(CC)CC)S3
• Title of publication: Tris(<i>N,N</i>-diethyldithiocarbamato-κ^2^<i>S,S</i>')nickel(II)
• Authors of publication: Mohamed, Ajax K.; Auner, Norbert; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m188 - m189
• a: 14.0208 ± 0.0009 Å
• b: 10.2305 ± 0.0007 Å
• c: 16.9031 ± 0.0011 Å
• α: 90°
• β: 109.63 ± 0.005°
• γ: 90°
• Cell volume: 2283.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No