Information card for entry 2205475

Structure parameters

• Chemical name: 4,4'-Bipyridinium dipicrate
• Formula: C22 H14 N8 O14
• Calculated formula: C22 H14 N8 O14
• SMILES: c1(cc[nH+]cc1)c1cc[nH+]cc1.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: 4,4'-Bipyridinium dipicrate
• Authors of publication: Lu-Fang Ma; Bang-Tun Zhao; Li-Ya Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o964 - o966
• a: 5.369 ± 0.002 Å
• b: 10.456 ± 0.004 Å
• c: 11.357 ± 0.005 Å
• α: 107.554 ± 0.005°
• β: 96.246 ± 0.005°
• γ: 94.581 ± 0.006°
• Cell volume: 600 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes