Information card for entry 7204091

Structure parameters

• Common name: ET4NH4Fe(OX)3C6H5NO2
• Formula: C26 H20.5 Fe0.5 N O7 S16
• Calculated formula: C26 H20.5 Fe0.5 N O7 S16
• Title of publication: New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)
• Authors of publication: Rashid, Samina; Turner, Scott S.; Day, Peter; Howard, Judith A. K.; Guionneau, Philippe; McInnes, Eric J. L.; Mabbs, Frank E.; Clark, Robin J. H.; Firth, Steven; Biggs, Tim
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2095
• a: 10.2732 ± 0.0002 Å
• b: 19.9494 ± 0.0003 Å
• c: 35.0304 ± 0.0006 Å
• α: 90°
• β: 92.969 ± 0.001°
• γ: 90°
• Cell volume: 7169.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0527
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.0724
• Goodness-of-fit parameter for all reflections: 1.13
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No