Information card for entry 4319425

Structure parameters

• Formula: C53 H41 Al N2 O12 S32
• Calculated formula: C53 H36 Al N2 O12 S32
• Title of publication: Crystal Chemistry and Physical Properties of Superconducting and Semiconducting Charge Transfer Salts of the Type (BEDT-TTF)4[AIMIII(C2O4)3].PhCN (AI= H3O, NH4, K; MIII= Cr, Fe, Co, Al; BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene)
• Authors of publication: Lee Martin; Scott S. Turner; Peter Day; Philippe Guionneau; Judith A. K. Howard; Dai E. Hibbs; Mark E. Light; Michael B. Hursthouse; Mikio Uruichi; Kyuyo Yakushi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1363 - 1371
• a: 10.318 ± 0.007 Å
• b: 19.46 ± 0.004 Å
• c: 35.808 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7190 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.0887
• Goodness-of-fit parameter for all reflections: 0.673
• Goodness-of-fit parameter for significantly intense reflections: 0.946
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No