Information card for entry 2244195

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate]
• Formula: C16 H17 N5 Ni S2
• Calculated formula: C16 H17 N5 Ni S2
• Title of publication: Synthesis, crystal structure and properties of <i>catena</i>-poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate]
• Authors of publication: Näther, Christian; Jess, Inke; Krebs, Christoph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 11
• a: 18.2934 ± 0.0009 Å
• b: 11.7472 ± 0.0004 Å
• c: 9.7341 ± 0.0005 Å
• α: 90°
• β: 117.043 ± 0.006°
• γ: 90°
• Cell volume: 1863.11 ± 0.18 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0242
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes