Information card for entry 8104895

Structure parameters

• Formula: C26 H18 N6 Ni S4
• Calculated formula: C26 H18 N6 Ni S4
• Title of publication: Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C26H18N6NiS4
• Authors of publication: Yan, Wei-Hong; Pan, Hui-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 107 - 108
• a: 8.2947 ± 0.0004 Å
• b: 8.9964 ± 0.0005 Å
• c: 9.421 ± 0.0005 Å
• α: 70.988 ± 0.001°
• β: 79.971 ± 0.001°
• γ: 82.567 ± 0.001°
• Cell volume: 652.52 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0444
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No