Information card for entry 2207744

Structure parameters

• Chemical name: catena-Poly[piperazinium [diaquacobalt(II)-μ-benzene-1,3,5-tricaboxylato-tetraaquacobalt(II)-μ-benzene- 1,3,5-tricaboxylato] dihydrate]
• Formula: C22 H34 Co2 N2 O20
• Calculated formula: C22 H34 Co2 N2 O20
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])(OC(=O)c1cc(C(=O)[O-])cc(c1)C1=[O][Co](O1)([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[Co]([OH2])([OH2])([OH2])([OH2])OC(=O)c1cc(C(=O)[O-])cc(c1)C(=O)[O-].O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1
• Title of publication: <i>catena</i>-Poly[piperazinium [diaquacobalt(II)-μ-benzene-1,3,5-tricaboxylato-tetraaquacobalt(II)-μ-benzene-1,3,5-tricaboxylato] dihydrate]
• Authors of publication: Wei, Wenying; Dong, Yang; Han, Jinyu; Chang, Heying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m26 - m27
• a: 7.1443 ± 0.0011 Å
• b: 10.5308 ± 0.0016 Å
• c: 10.5385 ± 0.0016 Å
• α: 110.753 ± 0.002°
• β: 102.521 ± 0.002°
• γ: 91.351 ± 0.002°
• Cell volume: 719.4 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes