Information card for entry 1507420

Structure parameters

• Formula: C8 H14 F6 N2 O8 S2 Sr
• Calculated formula: C8 H14 F6 N2 O8 S2 Sr
• SMILES: C(F)(F)(S(=O)(=O)[O-])F.C(=O)N(C)C.[Sr+2].C(F)(F)(F)S(=O)(=O)[O-].C(=O)N(C)C
• Title of publication: Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers
• Authors of publication: Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E.
• Journal of publication: The Journal of Physical Chemistry A
• Year of publication: 2002
• Journal volume: 106
• Journal issue: 41
• Pages of publication: 9612
• a: 11.68 ± 0.001 Å
• b: 20.5299 ± 0.0018 Å
• c: 8.0429 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1928.6 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No