Information card for entry 4301923

Structure parameters

• Common name: [Fe(II)Fe(III)6(bmsae)6(OMe)6]Cl2.23H2O (7)
• Formula: C66 H124 Br6 Cl2 Fe7 N6 O47
• Calculated formula: C66 H78 Br6 Cl1.98 Fe7 N6 O47
• 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: 37.3339 ± 0.0018 Å
• b: 37.3339 ± 0.0018 Å
• c: 37.3339 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 52037 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No