Information card for entry 7055543

Structure parameters

• Formula: C49 H55 Cl Co2 N4 O11
• Calculated formula: C49 H55 Cl Co2 N4 O11
• SMILES: [Co]12345[O]6[Co]78(Oc9ccc(cc9C[N]8(Cc8cc(ccc68)C)Cc6[n]7cccc6)C)([O]3c3c(C[N]5(Cc5c(O2)ccc(c5)C)Cc2[n]1cccc2)cc(cc3)C)[O]=CO4.[O-]Cl(=O)(=O)=O.C(C)OCC
• Title of publication: Dinuclear cobalt(iii) and mixed valence trinuclear MnIII‒MnII‒MnIIIcomplexes with a tripodal bridging pyridylaminophenol ligand
• Authors of publication: Davila, Ruben; Farias, Nicolas; Carolina Sañudo, E.; Vega, Andrés; Escuer, Albert; Soler, Mónica; Manzur, Jorge
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 6164
• a: 11.8421 ± 0.0004 Å
• b: 25.8186 ± 0.001 Å
• c: 15.2975 ± 0.0006 Å
• α: 90°
• β: 98.783 ± 0.002°
• γ: 90°
• Cell volume: 4622.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No