Information card for entry 7715510

Structure parameters

• Formula: C26 H28 N4 O13 S2 Sr
• Calculated formula: C26 H28 N4 O13 S2 Sr
• Title of publication: Structural insight and <i>in silico</i> prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide.
• Authors of publication: Rybczyńska, Małgorzata; Sikorski, Artur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6501 - 6506
• a: 34.835 ± 0.005 Å
• b: 7.2995 ± 0.0005 Å
• c: 14.2995 ± 0.0017 Å
• α: 90°
• β: 114.459 ± 0.017°
• γ: 90°
• Cell volume: 3309.7 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1351
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No