Information card for entry 8101764

Structure parameters

• Chemical name: catena-[diaqua-hexapyridinyl-bis(μ-sulfato)diiron(II)] tetrahydrate
• Formula: C30 H42 Fe2 N6 O14 S2
• Calculated formula: C30 H42 Fe2 N6 O14 S2
• Title of publication: Crystal structure of catena-[diaqua-hexapyridinyl-bis(μ-sulfato) diiron(II)] tetrahydrate, [Fe(C~5~H~5~N)~4~][Fe(H~2~O)~2~(C~5~H~5~N) ~2~](SO~4~)~2 ~· 4H~2~O
• Authors of publication: H.-Z. Shi; Z.-L. Li; Y.-K. Shan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 245 - 246
• a: 12.47 ± 0.003 Å
• b: 9.498 ± 0.0019 Å
• c: 17.043 ± 0.003 Å
• α: 90°
• β: 108.23 ± 0.03°
• γ: 90°
• Cell volume: 1917.3 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No