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Information card for entry 4065327
Preview
| Coordinates | 4065327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H16 Co4 F6 N O12 P |
|---|---|
| Calculated formula | C23 H16 Co4 F6 N O12 P |
| SMILES | [Co]12([Co]3([C]1(C[N+]1(CCCCC1)C[C]14[Co]5([Co]1([CH]=45)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])=[CH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-] |
| 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 | 12.7182 ± 0.0005 Å |
| b | 14.5661 ± 0.0006 Å |
| c | 18.0495 ± 0.0007 Å |
| α | 90° |
| β | 106.797 ± 0.002° |
| γ | 90° |
| Cell volume | 3201.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178546 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/53. |
4065327.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065327.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065327.cif |
| 33251 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065325, 4065326, 4065327 via cif-deposit CGI script. |
4065327.cif |
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Users of the data should acknowledge the original authors of the
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