Information card for entry 2000381

Structure parameters

• Formula: C16 H16 N6 O12
• Calculated formula: C16 H16 N6 O12
• SMILES: O=C(c1cc(cc(c1)N(=O)=O)N(=O)=O)[O-].O=C(c1cc(cc(c1)N(=O)=O)N(=O)=O)[O-].[NH3+]CC[NH3+]
• Title of publication: Structure of ethylenediammonium 3,5-dinitrobenzoate
• Authors of publication: Nethaji, M.; Pattabhi, V.; Chhabra, N.; Poonia, N. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2207 - 2209
• a: 6.737 ± 0.001 Å
• b: 7.803 ± 0.007 Å
• c: 10.444 ± 0.001 Å
• α: 94.747 ± 0.008°
• β: 108.3 ± 0.01°
• γ: 97.43 ± 0.01°
• Cell volume: 512.4 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No