Information card for entry 2207162

Structure parameters

• Chemical name: Bis(4,4'-bipyridinium) tetrakis(oxalato-κ^2^O,O')zirconate(IV)
• Formula: C28 H20 N4 O16 Zr
• Calculated formula: C28 H20 N4 O16 Zr
• SMILES: C1(=O)C(=O)O[Zr]234(O1)(OC(=O)C(O2)=O)(OC(=O)C(=O)O3)OC(=O)C(=O)O4.c1cc(cc[nH+]1)c1cc[nH+]cc1.c1cc(cc[nH+]1)c1cc[nH+]cc1
• Title of publication: Bis(4,4'-bipyridinium) tetrakis(oxalato-κ^2^<i>O</i>,<i>O</i>')zirconate(IV)
• Authors of publication: Fu, Yun-Long; Ren, Jia-Lin; Xu, Zhi-Wei; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2397 - m2399
• a: 19.447 ± 0.002 Å
• b: 10.986 ± 0.001 Å
• c: 15.084 ± 0.002 Å
• α: 90°
• β: 121.231 ± 0.002°
• γ: 90°
• Cell volume: 2755.6 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes