Information card for entry 2023177

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Formula: C14 H14 N4 Ni S2
• Calculated formula: C14 H14 N4 Ni S2
• Title of publication: Synthesis, crystal structure and thermal properties of catena-poly[[bis(4-methylpyridine)nickel(II)]-di-μ-thiocyanato], which shows an alternating all-trans and cis–cis–trans-coordination of the NiS2Np 2Nt 2 octahedra (p = 4-methylpyridine, t = thiocyanate)
• Authors of publication: Näther, Christian; Mangelsen, Sebastian
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 7
• a: 20.0352 ± 0.0012 Å
• b: 9.1536 ± 0.0005 Å
• c: 19.2268 ± 0.0012 Å
• α: 90°
• β: 116.783 ± 0.006°
• γ: 90°
• Cell volume: 3147.8 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220.15 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: 0.0453
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No