Information card for entry 2012471

Structure parameters

• Chemical name: bis[tris(2-aminoethyl)amine]nickel(II) tetrathiotungstate
• Formula: C12 H36 N8 Ni S4 W
• Calculated formula: C12 H36 N8 Ni S4 W
• SMILES: [W](=S)(=S)([S-])[S-].[Ni]1234([NH2]CC[N]1(CC[NH2]2)CCN)[NH2]CC[N]3(CC[NH2]4)CCN
• Title of publication: Two new [Ni(tren)~2~]^2+^ complexes: [Ni(tren)~2~]Cl~2~ and [Ni(tren)~2~]WS~4~
• Authors of publication: Ellermeier, Jan; Stähler, Ralph; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m70 - m73
• a: 10.147 ± 0.002 Å
• b: 11.852 ± 0.002 Å
• c: 19.122 ± 0.004 Å
• α: 90°
• β: 104.44 ± 0.03°
• γ: 90°
• Cell volume: 2227 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes