Information card for entry 3000245

Structure parameters

• Formula: C18 H18 Ag2 Fe N6
• Calculated formula: C18 H18 Ag2 Fe N6
• Title of publication: Structural Insights into the Two-Step Spin-Crossover Compound Fe(3,4-dimethyl-pyridine)2[Ag(CN)2]2
• Authors of publication: Rodriguez Velamazan
• Journal of publication: Crystals
• Year of publication: 2019
• Pages of publication: 316
• a: 10.0093 ± 0.0008 Å
• b: 15.0039 ± 0.0011 Å
• c: 14.8435 ± 0.0011 Å
• α: 90°
• β: 91.439 ± 0.001°
• γ: 90°
• Cell volume: 2228.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No