Information card for entry 7000693

Structure parameters

• Formula: C36 H34 Cl2 Fe4 N4 O12
• Calculated formula: C36 H34 Cl2 Fe4 N4 O12
• SMILES: C[O]12[Fe]345([N]6CC7[O]3[Fe]381(Oc1c(C=[N]3C7)cccc1O)[O]1c3c(C=[N]7CC9[O]%10[Fe]217([O]5(C)[Fe]12%10([N](C9)=Cc5cccc(O)c5O2)[O]4c2c(C=6)cccc2O1)Cl)cccc3O8)Cl
• Title of publication: Di-, tetra- and hexanuclear iron(III), manganese(II/III) and copper(II) complexes of Schiff-base ligands derived from 6-substituted-2-formylphenols
• Authors of publication: Lan, Yanhua; Novitchi, Ghenadie; Clérac, Rodolphe; Tang, Jin-Kui; Madhu, N. T.; Hewitt, Ian J.; Anson, Christopher E.; Brooker, Sally; Powell, Annie K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1721 - 1727
• a: 9.5718 ± 0.0019 Å
• b: 20.987 ± 0.004 Å
• c: 10.219 ± 0.002 Å
• α: 90°
• β: 114.621 ± 0.003°
• γ: 90°
• Cell volume: 1866.2 ± 0.6 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: 0.2233
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No