Information card for entry 4337763

Structure parameters

• Formula: C16 H36 Fe N2 O14 S2
• Calculated formula: C16 H36 Fe N2 O14 S2
• SMILES: [C@H](c1ccccc1)([NH3+])C.O.[Fe](OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([OH2])([OH2])([OH2])[OH2].C[C@H](c1ccccc1)[NH3+].O
• Title of publication: A Supramolecular Double Sulfate Salt with a Lamellar Type: Crystal Structure and Thermal Behavior.
• Authors of publication: Kammoun, Omar; Bataille, Thierry; Lucas, Anita; Dorcet, Vincent; Marlart, Isabelle; Rekik, Walid; Na\?ïli, Houcine; Mhiri, Tahar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2619 - 2627
• a: 6.2172 ± 0.0001 Å
• b: 32.5008 ± 0.0007 Å
• c: 7.0022 ± 0.0001 Å
• α: 90°
• β: 108.186 ± 0.001°
• γ: 90°
• Cell volume: 1344.22 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No