Information card for entry 2234517

Structure parameters

• Chemical name: Bis(μ-4-nitro-2-{[2- (oxidomethyl)phenyl]iminomethyl}phenolato)bis[chlorido(dimethyl sulfoxide)iron(III)] dimethyl sulfoxide disolvate
• Formula: C36 H44 Cl2 Fe2 N4 O12 S4
• Calculated formula: C36 H44 Cl2 Fe2 N4 O12 S4
• Title of publication: Bis(μ-4-nitro-2-{[2-(oxidomethyl)phenyl]iminomethyl}phenolato)bis[chlorido(dimethyl sulfoxide)iron(III)] dimethyl sulfoxide disolvate
• Authors of publication: Chygorin, Eduard N.; Rusanova, Julia A.; Zubatyuk, Roman I.; Shishkin, Oleg V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m668
• a: 13.5003 ± 0.001 Å
• b: 10.2566 ± 0.0006 Å
• c: 16.7453 ± 0.0012 Å
• α: 90°
• β: 97.027 ± 0.006°
• γ: 90°
• Cell volume: 2301.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1085
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes