Information card for entry 2015929

Structure parameters

• Chemical name: N,N'-Bis(4-pyridylmethyl)oxalamide
• Formula: C14 H14 N4 O2
• Calculated formula: C14 H14 N4 O2
• SMILES: O=C(NCc1ccncc1)C(=O)NCc1ccncc1
• Title of publication: Hydrogen-bonded supramolecule of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and a zigzag chain structure of <i>catena</i>-poly[[[dichloridocobalt(II)]-μ-<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide-κ^2^<i>N</i>^4^:<i>N</i>^4'^] hemihydrate]
• Authors of publication: Lee, Gene-Hsiang; Wang, Hsin-Ta
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m216 - m219
• a: 9.5188 ± 0.0004 Å
• b: 15.4474 ± 0.0007 Å
• c: 17.8238 ± 0.0008 Å
• α: 90°
• β: 93.833 ± 0.001°
• γ: 90°
• Cell volume: 2615 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes