Information card for entry 7719233

Structure parameters

• Formula: C5 H3 N4 Na O6
• Calculated formula: C5 H3 N4 Na O6
• Title of publication: Crystal engineering of dinitropyrazine-based sodium E-MOFs: toward thermally robust and low-sensitivity energetic materials.
• Authors of publication: Jujam, Manojkumar; Yadav, Abhishek Kumar; Dharavath, Srinivas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13347 - 13355
• a: 6.3181 ± 0.0005 Å
• b: 10.8704 ± 0.0008 Å
• c: 12.6798 ± 0.001 Å
• α: 90°
• β: 102.52 ± 0.002°
• γ: 90°
• Cell volume: 850.14 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No