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Information card for entry 4081138
Preview
Coordinates | 4081138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H75 B Cl O4 Os P3 |
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Calculated formula | C84 H75 B Cl O4 Os P3 |
SMILES | [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(C=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=CC=1)C#[O].c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O |
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 | 14.5937 ± 0.0005 Å |
b | 15.6767 ± 0.0004 Å |
c | 17.8065 ± 0.0006 Å |
α | 99.322 ± 0.002° |
β | 98.837 ± 0.003° |
γ | 90.171 ± 0.002° |
Cell volume | 3970.6 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0749 |
Residual factor for significantly intense reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.1711 |
Weighted residual factors for all reflections included in the refinement | 0.1783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
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/4081138.html
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Users of the data should acknowledge the original authors of the
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