Information card for entry 4347780

Structure parameters

• Formula: C16 H24 N6 O4
• Calculated formula: C16 H24 N6 O4
• Title of publication: Pyrazinetetracarboxamide: A Duplex Ligand for Palladium(II).
• Authors of publication: Lohrman, Jessica; Telikepalli, Hanumaiah; Johnson, Thomas S.; Jackson, Timothy A.; Day, Victor W.; Bowman-James, Kristin
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5098 - 5100
• a: 17.1327 ± 0.0012 Å
• b: 23.4368 ± 0.0017 Å
• c: 29.688 ± 0.002 Å
• α: 109.215 ± 0.003°
• β: 91.596 ± 0.003°
• γ: 102.41 ± 0.002°
• Cell volume: 10930.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No