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Information card for entry 7032506
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Coordinates | 7032506.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | trans-2b |
---|---|
Formula | C21 H18 O6 Re2 Si |
Calculated formula | C21 H18 O6 Re2 Si |
SMILES | [Re]1234([c]56[c]4([cH]3[cH]2[cH]16)C([c]12[cH]3[Re]461([c]2([Si]5(C)C)[cH]6[cH]34)(C#[O])(C#[O])C#[O])(C)C)(C#[O])(C#[O])C#[O] |
Title of publication | Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene. |
Authors of publication | Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 44 |
Pages of publication | 16726 - 16736 |
a | 10.1782 ± 0.0006 Å |
b | 16.3962 ± 0.001 Å |
c | 13.1427 ± 0.0008 Å |
α | 90° |
β | 95.524 ± 0.001° |
γ | 90° |
Cell volume | 2183.1 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0703 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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