Information card for entry 7010930

Structure parameters

• Formula: C52 H42 Co2 I3 N6 O4
• Calculated formula: C52 H42 Co2 I3 N6 O4
• SMILES: c1cccc[n]1[Co]123([N](=Cc4c(cccc4)O1)C(c1ccccc1)[N]1[Co]4([N](C([N]2=Cc2c(cccc2)O3)c2ccccc2)=Cc2ccccc2O4)Oc2c(C=1)cccc2)[n]1ccccc1.[I-](I)I
• Title of publication: Binuclear Co(ii)Co(ii), Co(ii)Co(iii) and Co(iii)Co(iii) complexes of “short” salen homologues derived from the condensation of salicylaldehyde and methanediamine or phenylmethanediamines. Synthesis, structures and magnetismElectronic supplementary information (ESI) available: Appendix, derivation of the expression for the average magnetic susceptibility of a Co(ii)Co(ii) dimer. See http://www.rsc.org/suppdata/dt/b1/b105594c/
• Authors of publication: Chiari, Brunetto; Cinti, Antonio; Crispu, Ornella; Demartin, Francesco; Pasini, Alessandro; Piovesana, Olivo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3611
• a: 15.914 ± 0.0009 Å
• b: 19.167 ± 0.001 Å
• c: 17.252 ± 0.0009 Å
• α: 90 ± 0.0009°
• β: 106.05 ± 0.0009°
• γ: 90 ± 0.0009°
• Cell volume: 5057.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.0941
• Goodness-of-fit parameter for all reflections: 0.841
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No