Information card for entry 7011973

Structure parameters

• Formula: C91 H78 Cl6 Co5 I N10 O12
• Calculated formula: C91 H62 Cl6 Co5 I N10 O12
• SMILES: [I-].[Co]12345[O]6[Co]789%10[O]2[Co]2%11%12[N](=Cc%13c(O2)cccc%13)[C@@H]([N]7=Cc2ccccc2[O]%10[Co]26([O]1c1ccccc1C=[N]4[C@@H]([N]1[Co]4(Oc6ccccc6C=[N]4[C@H]([N]5=Cc4ccccc4[O]3%11)c3ccc(Cl)cc3)Oc3c(C=1)cccc3)c1ccc(Cl)cc1)Oc1c(C=[N]2[C@@H]([N]9=Cc3c([O]8%12)cccc3)c3ccc(Cl)cc3)cccc1)c1ccc(Cl)cc1.ClCCl.O=CN(C)C.O=CN(C)C
• Title of publication: New pentanuclear mixed valence Co(ii)???Co(iii) complexes of ???short??? salen homologuesElectronic supplementary information (ESI) available: Table S1 (selected interatomic distances and angles for H2salNO2ben, [Co5(??3-OH)2(salNO2ben)4]I??CH3CO and [Co5(??3-OH)2(salClben)4]I??2DMF??CH2Cl2) and the expression for the magnetic susceptibility. See http://www.rsc.org/suppdata/dt/b2/b206221f/
• 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: 2002
• Journal issue: 24
• Pages of publication: 4672
• a: 15.495 ± 0.002 Å
• b: 25.344 ± 0.004 Å
• c: 23.663 ± 0.003 Å
• α: 90°
• β: 101.64 ± 0.01°
• γ: 90°
• Cell volume: 9101 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No