Information card for entry 7011972

Structure parameters

• Formula: C90 H74 Co5 I N12 O20
• Calculated formula: C90 H62 Co5 I N12 O20
• SMILES: CC(=O)C.[I-].[Co]12345[O]6[Co]789Oc%10ccccc%10C=[N]7[C@@H]([N]7[Co]%10%11%12([O]1[Co]1([N](=Cc%13c(O1)cccc%13)[C@@H]([N]%10=Cc1c([O]8%12)cccc1)c1ccc(N(=O)=O)cc1)([O]%11c1ccccc1C=7)[O]2c1ccccc1C=[N]4[C@@H]([N]1[Co]2(Oc4ccccc4C=[N]2[C@H]([N]5=Cc2c6cccc2)c2ccc(N(=O)=O)cc2)Oc2ccccc2C=1)c1ccc(N(=O)=O)cc1)[O]39)c1ccc(N(=O)=O)cc1.C(=O)(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: 15.771 ± 0.001 Å
• b: 25.007 ± 0.002 Å
• c: 23.185 ± 0.002 Å
• α: 90°
• β: 99.88 ± 0.01°
• γ: 90°
• Cell volume: 9008.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No