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Information card for entry 4313847
Preview
Coordinates | 4313847.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 Fe2 I6 O4 Si2 |
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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 Å3 |
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 |
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