Information card for entry 2108550

Structure parameters

• Formula: C5 H15 Fe N2 O12 S2
• Calculated formula: C5 H15 Fe N2 O12 S2
• Title of publication: The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C~5~H~7~N~2~)[Fe^III^(H~2~O)~4~(SO~4~)~2~]
• Authors of publication: Bednarchuk, Tamara J.; Hornfeck, Wolfgang; Kinzhybalo, Vasyl; Zhou, Zhengyang; Dušek, Michal; Pietraszko, Adam
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 12.1601 ± 0.0003 Å
• b: 17.2511 ± 0.0003 Å
• c: 6.7758 ± 0.0002 Å
• α: 90°
• β: 100.715 ± 0.002°
• γ: 90°
• Cell volume: 1396.61 ± 0.06 ų
• Cell temperature: 244.9 ± 0.2 K
• Ambient diffraction temperature: 244.9 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for significantly intense reflections: 1.68
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes