Information card for entry 2104241

Structure parameters

• Chemical name: diaqua(15-crown-5)iron(II) nitrate
• Formula: C10 H24 Fe N2 O13
• Calculated formula: C10 H24 Fe N2 O13
• Title of publication: Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
• Authors of publication: Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: 738 - 749
• a: 14.507 ± 0.002 Å
• b: 14.226 ± 0.002 Å
• c: 68.39 ± 0.006 Å
• α: 90°
• β: 96.23 ± 0.02°
• γ: 90°
• Cell volume: 14031 ± 3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: B 1 21 1
• Hall space group symbol: P 2yb (1/2*x,y,-1/2*x+z)
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes