Information card for entry 2014453

Structure parameters

• Chemical name: Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphatotetrazinc]
• Formula: C2 H4 O14 P2 Zn4
• Calculated formula: C2 H4 O14 P2 Zn4
• SMILES: [Zn+2].[Zn+2].[Zn+2].[Zn+2].O.O.P(=O)([O-])([O-])[O-].P(=O)([O-])([O-])[O-].C(=O)([O-])C(=O)[O-]
• Title of publication: Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphato-tetrazinc]
• Authors of publication: You-Ju Zhong; Yan-Qiong Sun; Guo-Yu Yang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m504 - m506
• a: 7.8752 ± 0.0006 Å
• b: 4.7971 ± 0.0002 Å
• c: 14.0735 ± 0.0006 Å
• α: 90°
• β: 95.835 ± 0.007°
• γ: 90°
• Cell volume: 528.92 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes