Information card for entry 2229472

Structure parameters

• Common name: Ethylenediammonium dipicrate dihydrate
• Chemical name: Ethane-1,2-diaminium bis(2,4,6-trinitrophenolate) dihydrate
• Formula: C14 H18 N8 O16
• Calculated formula: C14 H18 N8 O16
• Title of publication: Ethane-1,2-diaminium dipicrate dihydrate
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o637 - o638
• a: 13.4795 ± 0.0004 Å
• b: 20.4372 ± 0.0007 Å
• c: 8.041 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2215.16 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes