Information card for entry 7053800

Structure parameters

• Chemical name: delta-(N,N'-3,6-diazaoctane-1,8-diylbis(salicylidenealdiminato))-iron(iii) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)-nickel
• Formula: C26 H24 Fe N4 Ni O2 S10
• Calculated formula: C26 H24 Fe N4 Ni O2 S10
• Title of publication: Polymorphism and its effects on the magnetic behaviour of the [Fe(sal2-trien)][Ni(dmit)2] spin-crossover complex
• Authors of publication: Faulmann, Christophe; Szilágyi, Petra Á.; Jacob, Kane; Chahine, Joe; Valade, Lydie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1268
• a: 45.1691 ± 0.0011 Å
• b: 13.7916 ± 0.0003 Å
• c: 22.6893 ± 0.0006 Å
• α: 90°
• β: 104.541 ± 0.001°
• γ: 90°
• Cell volume: 13681.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No