Information card for entry 4337762

Structure parameters

• Formula: C16 H36 Cu N2 O14 S2
• Calculated formula: C16 H36 Cu N2 O14 S2
• SMILES: [C@H](c1ccccc1)([NH3+])C.[Cu]([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.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: 6.226 Å
• b: 33.095 Å
• c: 7.003 Å
• α: 90°
• β: 109.68°
• γ: 90°
• Cell volume: 1358.68 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No