Information card for entry 7233856

Structure parameters

• Common name: (TTF2)(C60)
• Chemical name: (TTF2)(C60)
• Formula: C94 H28 S8
• Calculated formula: C94 H28 S8
• Title of publication: Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges
• Authors of publication: Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8071 - 8076
• a: 10.346 ± 0.008 Å
• b: 10.452 ± 0.009 Å
• c: 13.714 ± 0.012 Å
• α: 88.75 ± 0.03°
• β: 86.12 ± 0.03°
• γ: 79.37 ± 0.03°
• Cell volume: 1454 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No