Information card for entry 7064004

Structure parameters

• Chemical name: Iron Ethyl-Isonicotinate nitroprusside
• Formula: C21 Fe2 N8 O5
• Calculated formula: C21 Fe2 N8 O5
• Title of publication: Spin crossover in Fe(4X-isonicotinate)2[Fe(CN)5NO] with X = methyl and ethyl: the effect of the 4X substituent size on the spin transition
• Authors of publication: Vázquez, M. C.; Avila, Y.; Mojica, R.; Cervera-Gabalda, L.; Galarreta-Rodríguez, I.; González, M.; Rodríguez-Hernández, J.; Rubio-Zuazo, J.; Reguera, E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 17434 - 17446
• a: 12.2888 ± 0.0006 Å
• b: 14.5058 ± 0.0005 Å
• c: 7.3438 ± 0.0005 Å
• α: 90°
• β: 98.98 ± 0.03°
• γ: 90°
• Cell volume: 1293.05 ± 0.16 ų
• Cell temperature: 80 K
• Ambient diffraction temperature: 80 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor R(I) for significantly intense reflections: 30.6551
• Goodness-of-fit parameter for all reflections: 1.564
• Method of determination: powder diffraction
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No