Information card for entry 2200929

Structure parameters

• Formula: C16 H20 N6 O10
• Calculated formula: C16 H20 N6 O10
• SMILES: O=N(=O)c1cc(N(=O)=O)ccc1[O-].O=N(=O)c1cc(N(=O)=O)ccc1[O-].[NH3+]CC[NH+](C)C
• Title of publication: The 1:2 adduct <i>N,N</i>-dimethylethylenediamine-1,4-diium bis(2,4-dinitrophenolate)
• Authors of publication: Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Bo-Long Poh; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o108 - o110
• a: 12.3777 ± 0.0003 Å
• b: 7.3596 ± 0.0002 Å
• c: 22.0064 ± 0.0001 Å
• α: 90°
• β: 97.886 ± 0.002°
• γ: 90°
• Cell volume: 1985.71 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.119
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes