Information card for entry 7054639

Structure parameters

• Formula: C14 H34 Cu N4 O18 S2
• Calculated formula: C14 H34 Cu N4 O18 S2
• SMILES: c1[nH]c2c(cccc2)[nH+]1.[O-]S(=O)(=O)[O-].[Cu]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1[nH]c2c(cccc2)[nH+]1.O=S(=O)([O-])[O-].O.O
• Title of publication: Inorganic layered structures in hybrid double sulfates: related phases and thermal reactivity
• Authors of publication: Kammoun, Omar; Rekik, Walid; Naïli, Houcine; Bataille, Thierry
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 2682
• a: 6.8292 ± 0.0001 Å
• b: 8.1314 ± 0.0002 Å
• c: 12.3445 ± 0.0003 Å
• α: 85.429 ± 0.001°
• β: 81.437 ± 0.001°
• γ: 85.436 ± 0.001°
• Cell volume: 674.11 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No