Information card for entry 4505247

Structure parameters

• Common name: diaqua(15-crown-5)iron(II) nitrate
• Formula: C10 H24 Fe N2 O13
• Calculated formula: C10 H24 Fe N2 O13
• Title of publication: [M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphic and Modulated Phases†
• Authors of publication: Hao, Xiang; Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2225
• a: 14.521 ± 0.001 Å
• b: 14.229 ± 0.001 Å
• c: 68.443 ± 0.003 Å
• α: 90°
• β: 96.26 ± 0.01°
• γ: 90°
• Cell volume: 14057.3 ± 1.5 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: 0.1222
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No