Information card for entry 2105820

Structure parameters

• Formula: C12 H8 Ag2 Fe N8
• Calculated formula: C12 H8 Ag2 Fe N8
• Title of publication: Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction
• Authors of publication: Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 436 - 443
• a: 14.895 ± 0.003 Å
• b: 8.122 ± 0.003 Å
• c: 13.288 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1607.5 ± 0.8 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.2293
• Residual factor for significantly intense reflections: 0.1664
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.2807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No