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Information card for entry 4065325
Preview
Coordinates | 4065325.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H34 B Co2 N O6 |
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Calculated formula | C38 H34 B Co2 N O6 |
SMILES | [Co]12([Co]3(C#[O])(C#[O])(C#[O])[CH]1=[C]23C[N+]1(CCCC1)C)(C#[O])(C#[O])C#[O].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | The Pauson-Khand Reaction: A Gas-Phase and Solution-Phase Examination Using Electrospray Ionization Mass Spectrometry |
Authors of publication | Henderson, Matthew A.; Luo, Jingwei; Oliver, Allen; McIndoe, J. Scott |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 20 |
Pages of publication | 5471 |
a | 19.1 ± 0.002 Å |
b | 10.9572 ± 0.0011 Å |
c | 17.5214 ± 0.0018 Å |
α | 90° |
β | 113.705 ± 0.002° |
γ | 90° |
Cell volume | 3357.5 ± 0.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.0351 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/4065325.html
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