Information card for entry 2227695

Structure parameters

• Chemical name: 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro- 1<i>H</i>-purin-9-ium tetrachloridoferrate(III)
• Formula: C11 H15 Cl4 Fe N4 O4
• Calculated formula: C11 H15 Cl4 Fe N4 O4
• Title of publication: 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium tetrachloridoferrate(III)
• Authors of publication: Wang, Ping Ping; Gong, Jiang; Ni, Shi-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1247
• a: 20.2947 ± 0.0004 Å
• b: 20.2947 ± 0.0004 Å
• c: 9.0692 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3735.38 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes