Information card for entry 2012870

Structure parameters

• Chemical name: catena-diaqua-dichloro-(μ-1,4-dioxane-O,O')-iron(II)
• Formula: C4 H12 Cl2 Fe O4
• Calculated formula: C4 H12 Cl2 Fe O4
• SMILES: [Fe](Cl)(Cl)([OH2])([OH2])[O]1CC[O](CC1)[Fe](Cl)(Cl)([O]1CCOCC1)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquadichloroiron(II)]-μ-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Speer Jr, Richard L.; Pinkerton, A. Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m441 - m442
• a: 6.859 ± 0.0018 Å
• b: 9.273 ± 0.002 Å
• c: 7.925 ± 0.002 Å
• α: 90°
• β: 114.082 ± 0.005°
• γ: 90°
• Cell volume: 460.2 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes