Information card for entry 4326732

Structure parameters

• Formula: C28 H42 Ag N6 O3 P S
• Calculated formula: C28 H42 Ag N6 O3 P S
• SMILES: C12(n3ccc[n]3[Ag]([n]3cccn13)([n]1cccn21)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)S(=O)(=O)[O-]
• Title of publication: Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes
• Authors of publication: Claudio Pettinari; Fabio Marchetti; Giulio Lupidi; Luana Quassinti; Massimo Bramucci; Dezemona Petrelli; Luca A. Vitali; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Piotr Smoleński; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11173 - 11183
• a: 12.6027 ± 0.0003 Å
• b: 15.1631 ± 0.0005 Å
• c: 16.2546 ± 0.0005 Å
• α: 90°
• β: 104.472 ± 0.002°
• γ: 90°
• Cell volume: 3007.63 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No