Information card for entry 7054641

Structure parameters

• Formula: C14 H34 N4 Ni O18 S2
• Calculated formula: C14 H34 N4 Ni O18 S2
• SMILES: c1[nH]c2c(cccc2)[nH+]1.[O-]S(=O)(=O)[O-].[Ni]([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: 6.6415 ± 0.0003 Å
• b: 8.2264 ± 0.0004 Å
• c: 12.2601 ± 0.0006 Å
• α: 84.337 ± 0.002°
• β: 79.491 ± 0.002°
• γ: 85.886 ± 0.002°
• Cell volume: 654.4 ± 0.05 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: 0.0446
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No