Information card for entry 2218160

Structure parameters

• Chemical name: Tris[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II)] dodecatungstoferrate dihydrate
• Formula: C108 H76 Fe4 N18 O42 W12
• Calculated formula: C108 H72 Fe4 N18 O41.98 W12
• Title of publication: Tris[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II)] dodecatungstoferrate dihydrate
• Authors of publication: Ma, Feng-Xia; Chen, Ya-Guang; Shi, Dong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m672
• a: 25.088 ± 0.005 Å
• b: 25.088 ± 0.005 Å
• c: 17.231 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9392 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes