Information card for entry 7064002

Structure parameters

• Chemical name: Iron (Methyl-Isonicotinate) nitroprussiate - 300K
• Formula: C19 Fe2 N8 O5
• Calculated formula: C19 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: 11.5223 ± 0.0004 Å
• b: 15.0011 ± 0.0006 Å
• c: 7.24418 ± 0.00005 Å
• α: 90°
• β: 99.23 ± 0.05°
• γ: 90°
• Cell volume: 1235.92 ± 0.19 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 33.3398
• Goodness-of-fit parameter for all reflections: 1.564
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.825878 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No