Information card for entry 7026987

Structure parameters

• Formula: C84 H120 Cl4 Mo12 O44 S24 Si
• Calculated formula: C84 H120 Cl4 Mo12 O44 S24 Si
• Title of publication: Synthesis, electrical properties and crystal structure of a new radical-ion salt based on π-extended bis(TTF) and a Keggin heteropolymolybdate
• Authors of publication: Peng, Jun; Wang, Enbo; Zhou, Yunshan; Xing, Yan; Jia, Hengqing; Lin, Yonghua; Shen, Yongjia
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3865
• a: 15.088 ± 0.003 Å
• b: 16.416 ± 0.003 Å
• c: 16.675 ± 0.003 Å
• α: 98.54 ± 0.03°
• β: 116.37 ± 0.03°
• γ: 107.25 ± 0.03°
• Cell volume: 3339 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections: 0.3683
• Weighted residual factors for significantly intense reflections: 0.2811
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for significantly intense reflections: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No