Information card for entry 4321277

Structure parameters

• Formula: C21 H40 Cr0.5 Fe0.5 N6 O2 S4
• Calculated formula: C21 Cr0.5 Fe0.5 N6 O2 S4
• Title of publication: Oxalato-Bridged Dinuclear Complexes of Cr(III) and Fe(III): Synthesis, Structure, and Magnetism of [(C2H5)4N]4[MM'(ox)(NCS)8] with MM' = CrCr, FeFe, and CrFe
• Authors of publication: Smaïl Triki; Florence Bérézovsky; Jean Sala Pala; Eugenio Coronado; Carlos J. Gómez-García; Juan Modesto Clemente; Amédée Riou; Philippe Molinié
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3771 - 3776
• a: 16.664 ± 0.007 Å
• b: 13.575 ± 0.006 Å
• c: 28.386 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6421 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.3189
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.3157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No