Information card for entry 7705859

Structure parameters

• Formula: C126 H147 N26 Ni9 S90
• Calculated formula: C126 H147.666 N26 Ni9 S90
• Title of publication: One-dimensional DABCO hydrogen-bonding chain in a hexagonal channel of magnetic [Ni(dmit)₂].
• Authors of publication: Li, Simin; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16772 - 16777
• a: 15.2371 ± 0.0001 Å
• b: 15.2371 ± 0.0001 Å
• c: 155.7837 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31322.6 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No