Information card for entry 7226452

Structure parameters

• Formula: C7 H19.16 N8 O6.59
• Calculated formula: C7 H16 N8 O6.5833
• Title of publication: Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates
• Authors of publication: Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 41
• Pages of publication: 7978
• a: 7.7868 ± 0.0014 Å
• b: 10.0032 ± 0.0018 Å
• c: 10.6058 ± 0.0019 Å
• α: 72.744 ± 0.006°
• β: 70.282 ± 0.006°
• γ: 75.842 ± 0.006°
• Cell volume: 733 ± 0.2 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: 0.0559
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No