Information card for entry 4348499

Structure parameters

• Formula: C49 H41 Ag As2 N2 O5 S
• Calculated formula: C49 H41 Ag As2 N2 O5 S
• SMILES: c1(ccccc1)[As](c1ccccc1)(c1ccccc1)[Ag](N(c1ccc(cc1Oc1ccccc1)N(=O)=O)S(=O)(=O)C)[As](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nimesulide Silver Metallodrugs, Containing the Mitochondriotropic, Triaryl Derivatives of Pnictogen; Anticancer Activity against Human Breast Cancer Cells.
• Authors of publication: Banti, Christina N.; Papatriantafyllopoulou, Constantina; Manoli, Maria; Tasiopoulos, Anastasios J.; Hadjikakou, Sotiris K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8681 - 8696
• a: 15.4416 ± 0.0004 Å
• b: 14.2826 ± 0.0004 Å
• c: 19.7348 ± 0.0006 Å
• α: 90°
• β: 96.343 ± 0.003°
• γ: 90°
• Cell volume: 4325.8 ± 0.2 ų
• Cell temperature: 100.3 ± 0.4 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No