Information card for entry 4301925

Structure parameters

• Common name: [Fe(III)3(bmsae)3Cl3(MeOH)(OMe)].Et2O.MeOH (9)
• Formula: C37 H51 Br3 Cl2 Fe3 N3 O13
• Calculated formula: C37 H51 Br3 Cl2 Fe3 N3 O13
• SMILES: [Fe]1234(Cl)[N](=Cc5c(O1)c(OC)cc(Br)c5)CC[O]2[Fe]125(Oc6c(OC)cc(Br)cc6C=[N]1CC[O]2[Fe]12([N](=Cc6c(O1)c(OC)cc(Br)c6)CC[O]32)([O]45C)[OH]C)Cl.CCOCC.CO
• Title of publication: Molecular Magnets Containing Wheel Motifs
• Authors of publication: Norihisa Hoshino; Ayuk M. Ako; Annie K. Powell; Hiroki Oshio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3396 - 3407
• a: 11.6626 ± 0.0005 Å
• b: 18.7616 ± 0.0009 Å
• c: 21.6134 ± 0.001 Å
• α: 90°
• β: 96.154 ± 0.001°
• γ: 90°
• Cell volume: 4702 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No