Information card for entry 1517853

Structure parameters

• Formula: C194 H158 B2 Co8 F8 N24 Na4 O34
• Calculated formula: C179 H137 B2 Co8 F8 N21 Na4 O34
• SMILES: [Co]123(Oc4ccccc4C4=[O]1[Na]15678[O]9[Co]%10%11%12([O]%13[Na]%14%15%16%17%18[O]%19[Co]%20%21%22([O](c%23c(C%19=CC=%13c%13[n]%11c(C9=C4)ccc%13)cccc%23)[Na]49%11%13%19[O]%21c%21c(C(=CC%23=[O]%14[Co]%14([O]5C(=CC(=[O]31)c1c(O2)cccc1)c1[n]%14c%23ccc1)(O%10)([n]1ccccc1)[O]%12%17C1=[O]%18[Na]235%10%12[O]%14(C(=[O]%162)[O]%224)[Co]24%16([O]%11C%11=CC%17=[O]9[Co]9(Oc%18ccccc%17%18)(Oc%17ccccc%17C(=[O]%139)C=C9[O]%19[Co]%13%14([O]%10=C(c%10[n]%13c9ccc%10)C=C9[O]%12[Co]%10([O]5C(=CC(=[O]32)c2[n]%16c%11ccc2)c2ccccc2[O]6%10)([O]7c2c9cccc2)([O]81)[n]1ccccc1)(O4)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1)[n]1ccccc1)[O]%15%20)cccc%21)[n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1.O.[B](F)(F)(F)[F-].n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.O.[B](F)(F)(F)[F-].n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species
• Authors of publication: Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 123
• a: 18.4101 ± 0.0007 Å
• b: 17.6277 ± 0.0007 Å
• c: 30.4003 ± 0.0012 Å
• α: 90°
• β: 106.78 ± 0.002°
• γ: 90°
• Cell volume: 9445.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.263
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No