Information card for entry 1547206

Structure parameters

• Chemical name: Bis[tris(2-hydroxyethyl)amine]-nickel(II)- bis-[(4-chlorophenylsulfanyl)acetate]
• Formula: C28 H42 Cl2 N2 Ni O10 S2
• Calculated formula: C28 H42 Cl2 N2 Ni O10 S2
• SMILES: [Ni]1234([OH]CC[N]3(CC[OH]1)CCO)[OH]CC[N]4(CC[OH]2)CCO.Clc1ccc(SCC(=O)[O-])cc1.Clc1ccc(SCC(=O)[O-])cc1
• Title of publication: Reaction of pharmacological active tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate with ZnCl2 or NiCl2: First conversion of a protic ionic liquid into metallated ionic liquid
• Authors of publication: Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe
• Journal of publication: Chemistry Central Journal
• Year of publication: 2013
• Journal volume: 7
• Pages of publication: 34
• a: 8.002 ± 0.0008 Å
• b: 9.498 ± 0.001 Å
• c: 11.6401 ± 0.0012 Å
• α: 81.034 ± 0.008°
• β: 77.83 ± 0.008°
• γ: 73.12 ± 0.008°
• Cell volume: 823.29 ± 0.15 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No