Information card for entry 7211049

Structure parameters

• Common name: N9-propyladenine-N1-oxide_AgBF4
• Formula: C16 H22 Ag B F4 N10 O4
• Calculated formula: C16 H22 Ag B F4 N10 O4
• SMILES: [Ag]([n]1c2c(n(CCC)c1)ncn(=O)c2N)[n]1c2c(ncn(=O)c2N)n(c1)CCC.[B](F)(F)(F)[F-].O.O
• Title of publication: Counteranion-directed structural consequences in silver‒adenine N-oxide complexes
• Authors of publication: Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9316
• a: 6.72 ± 0.005 Å
• b: 11.611 ± 0.005 Å
• c: 30.232 ± 0.005 Å
• α: 90°
• β: 95.504 ± 0.005°
• γ: 90°
• Cell volume: 2348 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No