Information card for entry 7123007

Structure parameters

• Formula: C20 H12 Ag2 Fe N8
• Calculated formula: C20 H12 Ag2 Fe N8
• Title of publication: Room Temperature Hysteretic Spin Crossover in a New Cyanoheterometallic Framework
• Authors of publication: Hiiuk, Volodymyr M.; Sova, Sergiu; Rotaru, Aurelian; Ksenofontov, Vadim; Fritsky, Igor O.; Gural'skiy, Il'ya A.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.4739 ± 0.0008 Å
• b: 13.8064 ± 0.0007 Å
• c: 20.751 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4146.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No