Information card for entry 7228001

Structure parameters

• Formula: C76 H44 Cl12 N4 O16 Rh4 S4
• Calculated formula: C76 H38 Cl12 N4 O16 Rh4 S4
• 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: 10.929 ± 0.002 Å
• b: 13.658 ± 0.003 Å
• c: 16.296 ± 0.003 Å
• α: 71.368 ± 0.009°
• β: 74.864 ± 0.01°
• γ: 69.076 ± 0.009°
• Cell volume: 2123.1 ± 0.7 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: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No