Information card for entry 4331203

Structure parameters

• Formula: C36 H31 F N Ni3 O6 S30
• Calculated formula: C36 H31 F N Ni3 O6 S30
• SMILES: [Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.[Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.Fc1cccc([NH3+])c1.O1CCOCCOCCOCCOCCOCC1
• Title of publication: Supramolecular Rotators of (Aniliniums)([18]crown-6) in Electrically Conducting [Ni(dmit)2] Crystals
• Authors of publication: Norihisa Hoshino; Yuuya Yoshii; Masaki Aonuma; Kazuya Kubo; Takayoshi Nakamura; Tomoyuki Akutagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12968 - 12975
• a: 11.305 ± 0.006 Å
• b: 12.831 ± 0.007 Å
• c: 24.097 ± 0.015 Å
• α: 79.776 ± 0.018°
• β: 83.847 ± 0.019°
• γ: 64.837 ± 0.016°
• Cell volume: 3111 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No