Information card for entry 2222766

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[μ-aqua-pentaaquadizinc(II)]- μ~4~-benzene-1,2,4,5-tetracarboxylato- 1:2:1':2'κ^6^O^1^,O^1'^:O^1'^:O^4^:^O^4^,O^4'^] dihydrate]
• Formula: C10 H18 O16 Zn2
• Calculated formula: C10 H18 O16 Zn2
• SMILES: [Zn]1([OH2])([OH2])([OH2])[O]=C(O[Zn]([OH2]1)([OH2])[OH2])c1c(C(=O)[O-])cc(c(c1)C(=O)[O-])C1=[O][Zn]23([OH2])([OH2])[O]=C([O]2[Zn](O1)([OH2]3)([OH2])([OH2])[OH2])c1c(C(=O)[O-])cc(c(c1)C(=O)[O-])C(=[O]1)[O]2[Zn]3([OH2])([OH2])([OH2])[O]=C(O[Zn]12([OH2]3)([OH2])[OH2])c1c(C(=O)[O-])cc(c(c1)C(=O)[O-])C1=[O][Zn]23([OH2])([OH2])[O]=C([O]2[Zn](O1)([OH2]3)([OH2])([OH2])[OH2])c1c(C(=O)[O-])cc(c(c1)C(=O)[O-])C(=O)[O].O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[μ-aqua-pentaaquadizinc(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato] dihydrate]
• Authors of publication: Rotondo, Archimede; Bruno, Giuseppe; Nicoló, Francesco; Cento, Angelo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m915 - m916
• a: 6.8429 ± 0.0001 Å
• b: 8.0167 ± 0.0001 Å
• c: 16.67 ± 0.0002 Å
• α: 101.62 ± 0.001°
• β: 92.555 ± 0.001°
• γ: 93.439 ± 0.001°
• Cell volume: 892.62 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0832
• 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