Information card for entry 7033228

Structure parameters

• Formula: C20 H14 N8 O2
• Calculated formula: C20 H14 N8 O2
• Title of publication: 3,3'-di(pyrazinamoyl)-2,2'-bipyridine: rational ligand design for the self-assembly of a 1-D coordination polymer.
• Authors of publication: Hurley, Nicholas J.; Rawson, Jeremy M.; Pilkington, Melanie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1866 - 1874
• a: 7.7883 ± 0.0005 Å
• b: 15.5419 ± 0.001 Å
• c: 14.6518 ± 0.0009 Å
• α: 90°
• β: 101.984 ± 0.003°
• γ: 90°
• Cell volume: 1734.87 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No