Information card for entry 4313847

Structure parameters

• Formula: C18 H20 Fe2 I6 O4 Si2
• Calculated formula: C18 H20 Fe2 I6 O4 Si2
• SMILES: [Fe]12345([I][Fe]6789(C#[O])(C#[O])[c]%10([cH]6[cH]7[cH]8[cH]9%10)[Si]([Si]([c]61[cH]2[cH]3[cH]4[cH]56)(C)C)(C)C)(C#[O])C#[O].I[I-]I.II
• Title of publication: Chemistry of the Si-Si and Fe-Fe Bonds in the Cyclic Structure (Me2SiSiMe2)[η5-C5H4Fe(CO)2]2. Selective Cleavage of the Fe-Fe Bond by I2 and Unexpected Properties of the Iodide
• Authors of publication: Huailin Sun; Zhensheng Zhang; Yanbin Pan; Jian Yang; Xiuzhong Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4076 - 4081
• a: 8.434 ± 0.004 Å
• b: 18.966 ± 0.008 Å
• c: 10.336 ± 0.005 Å
• α: 90°
• β: 96.686 ± 0.009°
• γ: 90°
• Cell volume: 1642.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No