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Information card for entry 4086939
Preview
Coordinates | 4086939.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H28 Br3 O Os P |
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Calculated formula | C33 H28 Br3 O Os P |
SMILES | [Os](Br)(Br)(Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([OH2])#CC=C(c1ccccc1)c1ccccc1 |
Title of publication | Reactions of Osmium Carbyne Complexes OsCl3(≡CR)(PPh3)2 (R = CH═CPh2, CH2Ar) with Bromine and Hydrogen Peroxide |
Authors of publication | Bai, Wei; Lee, Ka-Ho; Hung, Wai Yiu; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 3 |
Pages of publication | 657 |
a | 9.8517 ± 0.0002 Å |
b | 10.3571 ± 0.0002 Å |
c | 29.9335 ± 0.0007 Å |
α | 90° |
β | 98.04 ± 0.002° |
γ | 90° |
Cell volume | 3024.24 ± 0.11 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0266 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.0489 |
Weighted residual factors for all reflections included in the refinement | 0.0506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4086939.html
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