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Information card for entry 4107077
Preview
Coordinates | 4107077.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H55 Cl2 N O2 Os P2 Si |
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Calculated formula | C57 H55 Cl2 N O2 Os P2 Si |
SMILES | [Os]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)#CC([Si](C)(C)C)=C(C(=C1)N(=O)=O)C.c1ccccc1.c1ccccc1 |
Title of publication | Electrophilic Substitution Reactions of Metallabenzynes |
Authors of publication | Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 18350 - 18360 |
a | 10.386 ± 0.011 Å |
b | 18.76 ± 0.02 Å |
c | 27.36 ± 0.03 Å |
α | 90° |
β | 99.125 ± 0.018° |
γ | 90° |
Cell volume | 5263 ± 10 Å3 |
Cell temperature | 253 ± 2 K |
Ambient diffraction temperature | 253 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0307 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.048 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4107077.html
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