Information card for entry 2210608

Structure parameters

• Chemical name: catena-poly[piperazinium(2+) [tetraaquazinc(II)-μ-benzene-1,3,5-tricarboxylato- diaquacobalt(II)-μ-benzene-1,3,5-tricarboxylato] dihydrate]
• Formula: C22 H34 Co N2 O20 Zn
• Calculated formula: C22 H34 Co N2 O20 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])(OC(=O)c1cc(cc(c1)C(=O)[O-])C1=[O][Co]2(O1)([OH2])([OH2])[O]=C(O2)c1cc(cc(c1)C(=O)[O-])C(=O)O[Zn](OC(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])[OH2])OC(=O)c1cc(cc(c1)C(=O)[O-])C1=[O][Co](O1)([OH2])[OH2].O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1
• Title of publication: <i>catena</i>-Poly[piperazinium(2+) [tetraaquazinc(II)-μ-benzene-1,3,5-tricarboxylato-diaquacobalt(II)-μ-benzene-1,3,5-tricarboxylato] dihydrate]
• Authors of publication: Wei, Wen-Ying; Wang, Zhen; Han, Jin-Yu; Yin, Yan-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2597 - m2598
• a: 7.189 ± 0.003 Å
• b: 10.588 ± 0.004 Å
• c: 10.593 ± 0.004 Å
• α: 110.675 ± 0.005°
• β: 91.429 ± 0.006°
• γ: 102.538 ± 0.006°
• Cell volume: 731.8 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes