Information card for entry 8105189

Structure parameters

• Formula: C20 H14 N6 Ni S4
• Calculated formula: C20 H14 N6 Ni S4
• Title of publication: Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C20H14N6NiS4
• Authors of publication: Yan, Wei-Hong; Chen, Wan-Yao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 235 - 236
• a: 8.519 ± 0.003 Å
• b: 8.5956 ± 0.0016 Å
• c: 8.6531 ± 0.0017 Å
• α: 116.404 ± 0.003°
• β: 94.574 ± 0.004°
• γ: 103.031 ± 0.004°
• Cell volume: 541 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No