Information card for entry 1544071

Structure parameters

• Formula: C10 H7 Ag2 Fe N7
• Calculated formula: C10 H7 Ag2 Fe N7
• Title of publication: High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate
• Authors of publication: Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9012
• a: 6.734 ± 0.004 Å
• b: 12.536 ± 0.006 Å
• c: 9.12 ± 0.005 Å
• α: 90°
• β: 118.622 ± 0.01°
• γ: 90°
• Cell volume: 675.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No