Information card for entry 4506171

Structure parameters

• Common name: H(4PCO)
• Chemical name: Oximino-(cyano)-4-pyridine
• Formula: C7 H5 N3 O
• Calculated formula: C7 H5 N3 O
• SMILES: C(=N\O)(C#N)/c1ccncc1
• Title of publication: Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations
• Authors of publication: Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2877
• a: 3.728 ± 0.003 Å
• b: 13.938 ± 0.009 Å
• c: 13.008 ± 0.009 Å
• α: 90°
• β: 90.474 ± 0.009°
• γ: 90°
• Cell volume: 675.9 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1373
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No