Information card for entry 7248853

Structure parameters

• Formula: C53 H39 Cr O15 S32
• Calculated formula: C46 H35 Cr O13 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: 10.3201 ± 0.0011 Å
• b: 19.97 ± 0.003 Å
• c: 35.467 ± 0.004 Å
• α: 90°
• β: 92.995 ± 0.007°
• γ: 90°
• Cell volume: 7299.5 ± 1.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.2843
• Residual factor for significantly intense reflections: 0.2301
• Weighted residual factors for significantly intense reflections: 0.5352
• Weighted residual factors for all reflections included in the refinement: 0.5535
• Goodness-of-fit parameter for all reflections included in the refinement: 3.33
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No