Information card for entry 7248851

Structure parameters

• Chemical name: EKR126
• Formula: C53 H42 Cr N O12 S32
• Calculated formula: C53 H42 Cr N O12 S32
• Title of publication: BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.
• Authors of publication: Blundell, Toby J.; Ogar, Joseph O.; Brannan, Michael J.; Rusbridge, Elizabeth K.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 18444 - 18452
• a: 10.2438 ± 0.0001 Å
• b: 19.806 ± 0.0002 Å
• c: 35.2267 ± 0.0003 Å
• α: 90°
• β: 94.35 ± 0.001°
• γ: 90°
• Cell volume: 7126.51 ± 0.12 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 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 all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No