Information card for entry 4303487

Structure parameters

• Formula: C21 H32 Ag F3 N10 O4 S5
• Calculated formula: C21 H32 Ag F3 N10 O4 S5
• SMILES: [Ag]12([S](CCn3c4ncnc(c4nc3)N)CC[S]1C)[S](CCn1c3ncnc(c3nc1)N)CC[S]2C.C(S(=O)(=O)[O-])(F)(F)F.O
• Title of publication: Probing Metal-Ion Purine Interactions at DNA Minor-Groove Sites
• Authors of publication: Miguel A. Galindo; David Amantia; Alberto Martinez Martinez; William Clegg; Ross W. Harrington; Virtudes Moreno Martinez; Andrew Houlton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10295 - 10303
• a: 8.2489 ± 0.0002 Å
• b: 10.1312 ± 0.0002 Å
• c: 18.6353 ± 0.0006 Å
• α: 90.248 ± 0.002°
• β: 91.651 ± 0.002°
• γ: 92.648 ± 0.002°
• Cell volume: 1555.04 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No