Information card for entry 7209024

Structure parameters

• Formula: C11 H13 N3 O3
• Calculated formula: C11 H13 N3 O3
• SMILES: C(=NO)(c1ccncc1)c1ccncc1.O.O
• Title of publication: Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes
• Authors of publication: Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 120
• a: 4.0517 ± 0.0004 Å
• b: 13.9045 ± 0.0014 Å
• c: 10.2601 ± 0.0011 Å
• α: 90°
• β: 94.72 ± 0.004°
• γ: 90°
• Cell volume: 576.06 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No