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Information card for entry 4081137
Preview
Coordinates | 4081137.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H58 B Cl8 F4 Os P3 |
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Calculated formula | C62 H58 B Cl8 F4 Os P3 |
SMILES | c1cc(ccc1)[P+](c1ccccc1)(/C(=C/CC)C#[OsH](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl.[B](F)(F)(F)[F-] |
Title of publication | Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes |
Authors of publication | Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 14 |
Pages of publication | 3993 |
a | 22.037 ± 0.0005 Å |
b | 13.7037 ± 0.0003 Å |
c | 20.4654 ± 0.0004 Å |
α | 90° |
β | 91.007 ± 0.002° |
γ | 90° |
Cell volume | 6179.4 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0484 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.0717 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
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/4081137.html
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Users of the data should acknowledge the original authors of the
structural data.