Information card for entry 2236698

Structure parameters

• Chemical name: Poly[diammonium [(μ~4~-butane-1,2,3,4-tetracarboxylato)zincate] tetrahydrate]
• Formula: C8 H22 N2 O12 Zn
• Calculated formula: C8 H22 N2 O12 Zn
• SMILES: [Zn+2].C(=O)([C@H](CC(=O)[O-])[C@@H](C(=O)[O-])CC(=O)[O-])[O-].[NH4+].O.O.[NH4+].O.O
• Title of publication: Poly[diammonium [(μ~4~-butane-1,2,3,4-tetracarboxylato)zincate] tetrahydrate]
• Authors of publication: Jin, Shouwen; Huang, Yanfei; Wei, Shuaishuai; Zhou, Yong; Zhou, Yingping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1268 - m1269
• a: 14.1153 ± 0.0012 Å
• b: 8.8505 ± 0.0008 Å
• c: 13.5704 ± 0.0011 Å
• α: 90°
• β: 111.761 ± 0.002°
• γ: 90°
• Cell volume: 1574.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes