Information card for entry 7209025

Structure parameters

• Formula: C11 H8 N2 O
• Calculated formula: C11 H8 N2 O
• SMILES: c1(cnccc1)C(=O)c1cnccc1
• 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: 21.0949 ± 0.0017 Å
• b: 10.5185 ± 0.0008 Å
• c: 3.8315 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 850.16 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No