Information card for entry 7063678

Structure parameters

• Formula: C16 H14 Fe N6 Ni O2
• Calculated formula: C16 H14 Fe N6 Ni O2
• Title of publication: Spin crossover in the Fe(3PyMe)2[M(CN)4] series with M = Ni, Pd, Pt, and 3PyMe = 3-pyridinemethanol. The role of the intermolecular OH⋯OH interaction
• Authors of publication: Vázquez, M. C.; Avila, Y.; Sánchez, L.; Ortiz, A.; Piedra, O.; González, M.; Ávila, M.; Reguera, E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 4943 - 4949
• a: 7.2527 ± 0.0005 Å
• b: 7.2809 ± 0.0001 Å
• c: 16.1197 ± 0.0004 Å
• α: 90°
• β: 91.53 ± 0.006°
• γ: 90°
• Cell volume: 850.92 ± 0.06 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• 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: 4.159
• Goodness-of-fit parameter for all reflections: 1.714
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No