Information card for entry 4345846

Structure parameters

• Formula: C55 H71 Ag F3 N6 O4.5 S
• Calculated formula: C55 H70.5 Ag F3 N6 O4.5 S
• SMILES: [Ag]12([n]3c(C=[N]2C24CC5CC(C2)CC(C4)C5)cccc3/C=N/C23CC4CC(CC(C3)C4)C2)[n]2c(cccc2C=[N]1C12CC3CC(C2)CC(C1)C3)/C=N/C12CC3CC(C1)CC(C2)C3.S(=O)(=O)([O-])C(F)(F)F.O.O
• Title of publication: Five- and Six-Coordinated Silver(I) Complexes Derived from 2,6-(Pyridyl)iminodiadamantanes: Sustained Release of Bioactive Silver toward Bacterial Eradication.
• Authors of publication: Jimenez, Jorge; Chakraborty, Indranil; Del Cid, Anthony M.; Mascharak, Pradip K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4784 - 4787
• a: 15.8278 ± 0.0008 Å
• b: 19.4185 ± 0.001 Å
• c: 20.9508 ± 0.0011 Å
• α: 66.202 ± 0.001°
• β: 72.993 ± 0.001°
• γ: 69.876 ± 0.001°
• Cell volume: 5442.9 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.1655
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No