Information card for entry 4331205

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=3S2)SC2SC(=S)SC=2S1.[Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.Fc1ccc([NH3+])cc1.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: 10.0732 ± 0.0014 Å
• b: 12.713 ± 0.002 Å
• c: 24.452 ± 0.004 Å
• α: 99.369 ± 0.005°
• β: 95.61 ± 0.004°
• γ: 96.405 ± 0.006°
• Cell volume: 3048.8 ± 0.8 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: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No