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Information card for entry 4081140
Preview
Coordinates | 4081140.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H53 B Cl3 F4 O2 Os P3 |
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Calculated formula | C62 H53 B Cl3 F4 O2 Os P3 |
SMILES | [Os]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(/C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)\C=C\C)(C#[O])C#[O].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 | 10.093 ± 0.002 Å |
b | 14.878 ± 0.003 Å |
c | 18.998 ± 0.004 Å |
α | 89.52 ± 0.03° |
β | 86.24 ± 0.03° |
γ | 81.05 ± 0.03° |
Cell volume | 2812 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
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/4081140.html
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Users of the data should acknowledge the original authors of the
structural data.