Information card for entry 2241964

Structure parameters

• Chemical name: Bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate
• Formula: C70 H126 Cl6 Fe6 N8 O35 S13
• Calculated formula: C70 H126 Cl6 Fe6 N8 O35 S13
• Title of publication: Crystal structure of bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate
• Authors of publication: Chygorin, Eduard; Smal, Yuri; Omelchenko, Irina V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1848 - 1851
• a: 11.4286 ± 0.0007 Å
• b: 12.7227 ± 0.0008 Å
• c: 20.1915 ± 0.0012 Å
• α: 94.005 ± 0.005°
• β: 105.839 ± 0.006°
• γ: 103.952 ± 0.006°
• Cell volume: 2712 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1824
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes