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Information card for entry 4072211
Preview
| Coordinates | 4072211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H94 B O P Pd S Si2 |
|---|---|
| Calculated formula | C61 H80 B O P Pd S Si2 |
| SMILES | [Pd]123([P](c4cc(cc5C(c6cc(cc(B(c7ccccc7)c7ccccc7)c6Sc45)C(C)(C)C)(C)C)C(C)(C)C)(c4ccccc4)c4ccccc4)[CH2]=[CH]1[Si](O[Si]([CH]3=[CH2]2)(C)C)(C)C.CCCCCC |
| Title of publication | Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination |
| Authors of publication | Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5317 |
| a | 17.16 ± 0.007 Å |
| b | 9.849 ± 0.004 Å |
| c | 36.227 ± 0.016 Å |
| α | 90° |
| β | 96.351 ± 0.007° |
| γ | 90° |
| Cell volume | 6085 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.166 |
| Residual factor for significantly intense reflections | 0.1053 |
| Weighted residual factors for significantly intense reflections | 0.2411 |
| Weighted residual factors for all reflections included in the refinement | 0.2723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178611 (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 4/07/22. |
4072211.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072211.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072211.cif |
| 44296 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072211 via cif-deposit CGI script. |
4072211.cif |
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Users of the data should acknowledge the original authors of the
structural data.