Information card for entry 2004090

Structure parameters

• Formula: C12 H36 Fe N3 O15 S6
• Calculated formula: C12 H36 Fe N3 O18 S6
• Title of publication: Hexakis(dimethyl sulfoxide-<i>O</i>)iron(III) Trinitrate
• Authors of publication: Tzou, J.-R.; Mullaney, M.; Norman, R. E.; Chang, S.-C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2249 - 2252
• a: 11.518 ± 0.001 Å
• b: 11.518 ± 0.001 Å
• c: 19.966 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2293.9 ± 0.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 21 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 5.165
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No