Information card for entry 7711006

Structure parameters

• Chemical name: Tetraethylammonium-bis(2,6-dimethylphenyl-1H-1,2,3-triazole-4,5-dithiolato)nickelate
• Formula: C28 H38 N7 Ni S4
• Calculated formula: C28 H38 N7 Ni S4
• Title of publication: Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates
• Authors of publication: Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 26.082 ± 0.002 Å
• b: 7.5934 ± 0.0006 Å
• c: 15.7003 ± 0.0017 Å
• α: 90°
• β: 98.061 ± 0.004°
• γ: 90°
• Cell volume: 3078.7 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No