Information card for entry 2203331

Structure parameters

• Chemical name: Bis(tetraethylammonium) 2,2'-bipyridine-4,4'-dicarboxylate tetrahydrate
• Formula: C28 H54 N4 O8
• Calculated formula: C28 H54 N4 O8
• SMILES: c1(cc(ccn1)C(=O)[O-])c1cc(ccn1)C(=O)[O-].O.O.C(C)[N+](CC)(CC)CC.O.O.C(C)[N+](CC)(CC)CC
• Title of publication: Bis(tetraethylammonium) 2,2'-bipyridine-4,4'-dicarboxylate tetrahydrate
• Authors of publication: Fujihara, Takashi; Kobayashi, Atsuo; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o353 - o355
• a: 10.74 ± 0.002 Å
• b: 7.5172 ± 0.0015 Å
• c: 20.398 ± 0.004 Å
• α: 90°
• β: 93.4 ± 0.03°
• γ: 90°
• Cell volume: 1643.9 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes