Information card for entry 2212892

Structure parameters

• Chemical name: 4,4'-Bis[(2-acetylhydrazino)carbonyl]-1,1'-ethylenedipyridinium dibromide tetrahydrate
• Formula: C18 H30 Br2 N6 O8
• Calculated formula: C18 H30 Br2 N6 O8
• SMILES: CC(=O)NNC(=O)c1cc[n+](cc1)CC[n+]1ccc(C(=O)NNC(=O)C)cc1.O.O.[Br-].O.O.[Br-]
• Title of publication: 4,4'-Bis[(2-acetylhydrazino)carbonyl]-1,1'-ethylenedipyridinium dibromide tetrahydrate
• Authors of publication: Xiao-Peng Fan; Jiang-Sheng Li; Ying-Ying Zhang; Xiao-Li Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1717 - o1718
• a: 5.9315 ± 0.0013 Å
• b: 9.374 ± 0.002 Å
• c: 11.721 ± 0.003 Å
• α: 107.57 ± 0.003°
• β: 92.101 ± 0.004°
• γ: 96.389 ± 0.003°
• Cell volume: 615.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes