Information card for entry 2238091

Structure parameters

• Chemical name: Pyridinium bis(pyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III)
• Formula: C19 H16 Fe N7 S4
• Calculated formula: C19 H16 Fe N7 S4
• Title of publication: Pyridinium bis(pyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III)
• Authors of publication: Shylin, Sergii I.; Gural'skiy, Il'ya A.; Haukka, Matti; Kapshuk, Anatoliy A.; Prisyazhnaya, Elena V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m298 - m299
• a: 10.765 ± 0.0007 Å
• b: 14.0424 ± 0.0008 Å
• c: 15.7266 ± 0.0009 Å
• α: 90°
• β: 103.244 ± 0.003°
• γ: 90°
• Cell volume: 2314.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes