Information card for entry 7719232

Structure parameters

• Formula: C4 H4 N4 Na2 O8
• Calculated formula: C4 H4 N4 Na2 O8
• 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: 6.114 ± 0.0003 Å
• b: 9.0512 ± 0.0004 Å
• c: 9.3073 ± 0.0004 Å
• α: 116.664 ± 0.001°
• β: 90.429 ± 0.001°
• γ: 101.427 ± 0.001°
• Cell volume: 448.42 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No