Information card for entry 7011971

Structure parameters

• Formula: C21 H17 N3 O4
• Calculated formula: C21 H17 N3 O4
• SMILES: Oc1ccccc1/C=N/C(/N=C/c1ccccc1O)c1ccc(N(=O)=O)cc1
• 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: 9.2106 ± 0.0018 Å
• b: 15.578 ± 0.003 Å
• c: 13.018 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1867.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No