Information card for entry 7008912

Structure parameters

• Formula: C57 H61 Fe2 N O24 S16
• Calculated formula: C57 H60 Fe2 N O24 S16
• Title of publication: Charge transfer salts of tetrathiafulvalene derivatives with magnetic iron(III) oxalate complexes: [TTF]7[Fe(ox)3]2·4H2O, [TTF]5[Fe2(ox)5]·2PhMe·2H2O and [TMTTF]4[Fe2(ox)5]· PhCN·4H2O (TMTTF = tetramethyltetrathiafulvalene) †
• Authors of publication: Coronado, Eugenio; Galán-Mascarós, José R.; Gómez-García, Carlos J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 205
• a: 11.61 ± 0.001 Å
• b: 14.085 ± 0.001 Å
• c: 14.253 ± 0.001 Å
• α: 118.11 ± 0.001°
• β: 90.66 ± 0.001°
• γ: 114.1 ± 0.001°
• Cell volume: 1815.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No