Information card for entry 7000692

Structure parameters

• Formula: C40 H46 Fe2 N4 O12
• Calculated formula: C40 H46 Fe2 N4 O12
• SMILES: [Fe]12345[O]6[Fe]789([N](CC6C[N]1=Cc1cccc(c1O2)OC)=Cc1cccc(c1O7)OC)[O]3C(C[N]4=Cc1cccc(c1O5)OC)C[N]8=Cc1cccc(c1O9)OC.OC.OC
• 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: 11.0203 ± 0.0011 Å
• b: 14.7485 ± 0.0008 Å
• c: 24.089 ± 0.002 Å
• α: 90°
• β: 95.134 ± 0.007°
• γ: 90°
• Cell volume: 3899.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No