Information card for entry 2224307

Structure parameters

• Chemical name: Poly[1,4-bis(4-pyridylmethyl)piperazinediium [[tetraaquacobaltate(II)]-μ-pyromellitato-κ^2^O^1^:O^4^] dihydrate]
• Formula: C26 H36 Co N4 O14
• Calculated formula: C26 H36 Co N4 O14
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])(OC(=O)c1c(C(=O)[O-])cc(c(c1)C(=O)[O-])C(=O)O[Co]([OH2])([OH2])([OH2])[OH2])OC(=O)c1c(cc(C(=O)[O-])c(c1)C(=O)[O-])C(=O)[O-].O.O.O.O.n1ccc(cc1)C[NH+]1CC[NH+](Cc2ccncc2)CC1.n1ccc(cc1)C[NH+]1CC[NH+](Cc2ccncc2)CC1
• Title of publication: Poly[1,4-bis(4-pyridylmethyl)piperazinediium [[tetraaquacobaltate(II)]-μ-pyromellitato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]
• Authors of publication: Sposato, Laura K.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1709
• a: 7.278 ± 0.002 Å
• b: 9.752 ± 0.003 Å
• c: 11.257 ± 0.003 Å
• α: 66.733 ± 0.003°
• β: 75.168 ± 0.003°
• γ: 83.359 ± 0.003°
• Cell volume: 709.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes