Information card for entry 7225981

Structure parameters

• Chemical name: (anilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]
• Formula: C32 H44 N Ni O6 S10
• Calculated formula: C32 H43 N Ni O6 S10
• Title of publication: One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations
• Authors of publication: Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 41
• Pages of publication: 7959
• a: 8.0251 ± 0.0004 Å
• b: 10.0806 ± 0.0006 Å
• c: 12.6959 ± 0.0007 Å
• α: 89.821 ± 0.0017°
• β: 81.4586 ± 0.0015°
• γ: 79.9673 ± 0.0016°
• Cell volume: 999.87 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No