Information card for entry 2012470

Structure parameters

• Chemical name: bis[tris(2-aminoethyl)amine]nickel(II) dichoride
• Formula: C12 H36 Cl2 N8 Ni
• Calculated formula: C12 H36 Cl2 N8 Ni
• SMILES: C1C[N]2(CC[NH2][Ni]342([NH2]1)[NH2]CC[N]3(CC[NH2]4)CCN)CCN.[Cl-].[Cl-]
• 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: 9.0336 ± 0.0018 Å
• b: 10.63 ± 0.002 Å
• c: 10.717 ± 0.002 Å
• α: 90°
• β: 108.78 ± 0.03°
• γ: 90°
• Cell volume: 974.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes