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Information card for entry 4108752
Preview
Coordinates | 4108752.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H40 B10 N P Ru |
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Calculated formula | C33 H40 B10 N P Ru |
SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([n]6ccccc6)[c]6(C([C]789%10[CH]%11%12%13[B]%14%1557[BH]578[BH]8%169[BH]9%10%11[BH]%10%11%16[BH]%1678[BH]7%155[BH]5%12%14[BH]%139%10[BH]%11%1675)(C)C)[cH]1[cH]2[cH]3[cH]46 |
Title of publication | Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes |
Authors of publication | Dongmei Liu; Li Dang; Yi Sun; Hoi-Shan Chan; Zhenyang Lin; Zuowei Xie |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16103 - 16110 |
a | 10.4337 ± 0.0012 Å |
b | 10.75 ± 0.0012 Å |
c | 15.0934 ± 0.0017 Å |
α | 97.231 ± 0.002° |
β | 90.234 ± 0.002° |
γ | 92.507 ± 0.002° |
Cell volume | 1677.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0365 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0791 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108752.html
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Users of the data should acknowledge the original authors of the
structural data.