Information card for entry 7017057

Structure parameters

• Formula: C5 H26 Fe N2 O14 S2
• Calculated formula: C5 H25 Fe N2 O14 S2
• Title of publication: Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C(5)H(14)N(2)][M(II)(H(2)O)(6)](SO(4))(2), (M(II) = Mn, Fe, Co, Ni).
• Authors of publication: Hajlaoui, Fadhel; Naïli, Houcine; Yahyaoui, Samia; Turnbull, Mark M.; Mhiri, Tahar; Bataille, Thierry
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11613 - 11620
• a: 10.9273 ± 0.0002 Å
• b: 7.862 ± 0.0001 Å
• c: 11.7845 ± 0.0003 Å
• α: 90°
• β: 116.733 ± 0.001°
• γ: 90°
• Cell volume: 904.2 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No