Information card for entry 2225015

Structure parameters

• Chemical name: <i>catena</i>-Poly[diquinolinium [[diaquacobaltate(II)]-μ- cyclotetraphosphato] hexahydrate]
• Formula: C18 H32 Co N2 O20 P4
• Calculated formula: C18 H32 Co N2 O20 P4
• SMILES: [Co]12([OH2])([OH2])(O[P@@]3(=O)O[P@@](=O)(O1)O[P@]4(=O)O[Co]([OH2])([OH2])O[P@@](=O)(O4)O3)O[P@]1(=O)O[P@](=O)(O2)OP(OP(O1)([O-])=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.[nH+]1c2ccccc2ccc1.[nH+]1c2ccccc2ccc1.[nH+]1c2ccccc2ccc1.[nH+]1c2ccccc2ccc1
• Title of publication: <i>catena</i>-Poly[diquinolinium [[diaquacobaltate(II)]-μ-cyclotetraphosphato] hexahydrate]
• Authors of publication: Hemissi, Hanène; Rzaigui, Mohammed; Al Othman, Zeid Abdullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m186 - m187
• a: 7.443 ± 0.003 Å
• b: 10.037 ± 0.004 Å
• c: 10.682 ± 0.007 Å
• α: 83.74 ± 0.04°
• β: 70.98 ± 0.04°
• γ: 85.71 ± 0.03°
• Cell volume: 749.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes