Information card for entry 7010929

Structure parameters

• Formula: C50 H44 Co2 I6 N8 O4
• Calculated formula: C50 H44 Co2 I6 N8 O4
• SMILES: I[I-]I.[N]12C[N]3=Cc4ccccc4O[Co]43([n]3ccccc3)([N](C[N]3[Co]1([n]1ccccc1)(Oc1ccccc1C=2)(Oc1ccccc1C=3)[n]1ccccc1)=Cc1ccccc1O4)[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: 13.502 ± 0.001 Å
• b: 22.661 ± 0.002 Å
• c: 18.792 ± 0.002 Å
• α: 90°
• β: 101.1 ± 0.01°
• γ: 90°
• Cell volume: 5642.2 ± 0.9 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: 0.0556
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.0856
• Goodness-of-fit parameter for all reflections: 0.888
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No