Information card for entry 7202678

Structure parameters

• Formula: C51.76 H40 Fe N O13 S32
• Calculated formula: C51.76 H37 Fe N O13 S32
• Title of publication: Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~
• Authors of publication: Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 2497 - 2499
• a: 10.296 ± 0.0008 Å
• b: 20.064 ± 0.003 Å
• c: 35.1951 ± 0.0008 Å
• α: 90°
• β: 92.696 ± 0.0005°
• γ: 90°
• Cell volume: 7262.5 ± 1.2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No