Information card for entry 7228000

Structure parameters

• Formula: C83.5 H51 Cl12 N4 O16 Rh4 S8
• Calculated formula: C83.5 H42 Cl12 N4 O16 Rh4 S8
• Title of publication: Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks
• Authors of publication: Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 2300
• a: 10.4069 ± 0.0013 Å
• b: 14.095 ± 0.0017 Å
• c: 15.263 ± 0.002 Å
• α: 86.244 ± 0.003°
• β: 85.165 ± 0.003°
• γ: 85.393 ± 0.004°
• Cell volume: 2219.8 ± 0.5 ų
• Cell temperature: 97 K
• Ambient diffraction temperature: 97 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: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No