Information card for entry 7233855

Structure parameters

• Common name: (TTF1)(C60)(CS2)
• Chemical name: (TTF1)(C60)(CS2)
• Formula: C95 H28 O4 S10
• Calculated formula: C95 H28 O4 S10
• 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: 10.283 ± 0.004 Å
• b: 10.34 ± 0.004 Å
• c: 16.018 ± 0.007 Å
• α: 103.299 ± 0.005°
• β: 104.031 ± 0.005°
• γ: 100.895 ± 0.007°
• Cell volume: 1553 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No