Information card for entry 7102427

Structure parameters

• Formula: C102 H83 Cl12 Co6 N21 Na8 O24 P4
• Calculated formula: C102 H83 Cl12 Co6 N21 Na8 O24 P4
• SMILES: [Co]123(Oc4[n]2c(Cl)ccc4)(Oc2[n]3c(Cl)ccc2)[O]=P2(O[Co]34(Oc5[n]3c(Cl)ccc5)(Oc3[n]4c(Cl)ccc3)[O]=P3(O[Co]45(Oc6[n]4c(Cl)ccc6)(Oc4[n]5c(Cl)ccc4)[O]=P(O[Co]45(Oc6[n]4c(Cl)ccc6)(Oc4[n]5c(Cl)ccc4)[O]=P(O1)(O[Co]1(O3)(Oc3[n]1c(Cl)ccc3)n1c(Cl)cccc1=O)c1ccccc1)(O[Co]1(O2)(Oc2[n]1c(Cl)ccc2)n1c(Cl)cccc1=O)c1ccccc1)c1ccccc1)c1ccccc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Phosphonate ligands encourage a platonic relationship between cobalt(II) and alkali metal ions.
• Authors of publication: Langley, Stuart; Helliwell, Madeleine; Raftery, James; Tolis, Evangelos I; Winpenny, Richard E P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 142 - 143
• a: 32.668 ± 0.002 Å
• b: 24.2542 ± 0.0017 Å
• c: 16.2044 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12839.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No