Information card for entry 4331846

Structure parameters

• Formula: C66 H62 Fe I N18 O7 Ru2
• Calculated formula: C66 H62 Fe I N18 O7 Ru2
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Fe](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[I-].O.O.O.O.O.O.O
• Title of publication: Structure of an I-·(H2O)6Anion Cluster in a 3D Anion Crystal Host [I·(H2O)6Fe(CN)6·H2O]4-
• Authors of publication: Dong, Wen; Ou-Yang, Yan; Song, Hai-Bin; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Cheng, Peng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1168 - 1172
• a: 12.922 ± 0.004 Å
• b: 23.713 ± 0.007 Å
• c: 21.776 ± 0.006 Å
• α: 90°
• β: 90.705 ± 0.005°
• γ: 90°
• Cell volume: 6672 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No