Information card for entry 2242366

Structure parameters

• Chemical name: Bis(4-methoxypyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III) bis[(4-methoxypyridine-κ<i>N</i>)pentakis(thiocyanato-κ<i>N</i>)ferrate(III)] hexakis(thiocyanato-κ<i>N</i>)ferrate(III)
• Formula: C92 H92 Fe4 N32 O12 S20
• Calculated formula: C92 H92 Fe4 N32 O12 S20
• Title of publication: Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III) bis[(4-methoxypyridine-κ<i>N</i>)pentakis(thiocyanato-κ<i>N</i>)ferrate(III)] hexakis(thiocyanato-κ<i>N</i>)ferrate(III) with iron in three different octahedral coordination environments
• Authors of publication: Jochim, Aleksej; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 287 - 291
• a: 35.5034 ± 0.0008 Å
• b: 10.5199 ± 0.0001 Å
• c: 35.7432 ± 0.0008 Å
• α: 90°
• β: 113.864 ± 0.002°
• γ: 90°
• Cell volume: 12208.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.0477
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes