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Information card for entry 4073036
Preview
| Coordinates | 4073036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H33 Co O2 P2 |
|---|---|
| Calculated formula | C46 H33 Co O2 P2 |
| SMILES | [CoH]1([P](c2ccc3ccccc3c2c2c3ccccc3ccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
| Title of publication | Pendant Alkenes Promote Cobalt−Cobalt Bond Cleavage in (Alkyne)(binap)tetracarbonyldicobalt(0) Complexes |
| Authors of publication | Gibson, Susan E.; Kaufmann, Karina A. C.; Haycock, Peter R.; White, Andrew J. P.; Hardick, David J.; Tozer, Matthew J. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1578 |
| a | 15.0501 ± 0.0007 Å |
| b | 14.7142 ± 0.0007 Å |
| c | 17.0825 ± 0.0008 Å |
| α | 90° |
| β | 110.517 ± 0.004° |
| γ | 90° |
| Cell volume | 3543 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2435 |
| Residual factor for significantly intense reflections | 0.0939 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30. |
4073036.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073036.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073036.cif |
| 46128 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073036 via cif-deposit CGI script. |
4073036.cif |
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Users of the data should acknowledge the original authors of the
structural data.