Information card for entry 4348500

Structure parameters

• Formula: C52 H47 Ag N3 O6 P2 S
• Calculated formula: C52 H47 Ag N3 O6 P2 S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Ag](N(c1ccc(cc1Oc1ccccc1)N(=O)=O)S(=O)(=O)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)N(C)C
• 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: 12.627 ± 0.005 Å
• b: 13.245 ± 0.005 Å
• c: 14.592 ± 0.005 Å
• α: 97.969 ± 0.005°
• β: 97.13 ± 0.005°
• γ: 92.879 ± 0.005°
• Cell volume: 2392.5 ± 1.5 ų
• Cell temperature: 100.05 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No