Information card for entry 2243201

Structure parameters

• Chemical name: Pyridinium tetraisothiocyanatobis(pyridine)chromium(III) pyridine monosolvate
• Formula: C24 H21 Cr N8 S4
• Calculated formula: C24 H21 Cr N8 S4
• Title of publication: Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate
• Authors of publication: Neumann, Tristan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• Pages of publication: 1875 - 1879
• a: 10.1068 ± 0.0005 Å
• b: 8.8168 ± 0.0006 Å
• c: 16.2628 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1449.17 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes