Information card for entry 4321534

Structure parameters

• Formula: C26 H14 Fe N6 O S14
• Calculated formula: C26 H14 Fe N6 O S14
• Title of publication: Hybrid Molecular Materials Based upon the Photochromic Nitroprusside Complex, [Fe(CN)5NO]2-, and Organic π-Electron Donors. Synthesis, Structure, and Properties of the Radical Salt (TTF)7[Fe(CN)5NO]2 (TTF = Tetrathiafulvalene)
• Authors of publication: M. Clemente-León; E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; E. Canadell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5394 - 5397
• a: 10.536 ± 0.002 Å
• b: 13.038 ± 0.006 Å
• c: 26.405 ± 0.004 Å
• α: 90°
• β: 93.616 ± 0.014°
• γ: 90°
• Cell volume: 3620 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1585
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.0913
• Goodness-of-fit parameter for all reflections: 0.978
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No