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Information card for entry 4071495
Preview
| Coordinates | 4071495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H49 Al Si5 |
|---|---|
| Calculated formula | C19 H49 Al Si5 |
| SMILES | [Al](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)/C=C/[Si](C)(C)C |
| Title of publication | Reactions of Terminal Alkynes with a Bulky Dialkylaluminum Hydride: Hydroalumination versus Deprotonation |
| Authors of publication | Uhl, Werner; Er, Elif; Hepp, Alexander; Kösters, Jutta; Grunenberg, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3346 |
| a | 10.554 ± 0.0003 Å |
| b | 12.1864 ± 0.0005 Å |
| c | 12.5117 ± 0.0005 Å |
| α | 97.449 ± 0.002° |
| β | 95.133 ± 0.002° |
| γ | 105.461 ± 0.002° |
| Cell volume | 1524.87 ± 0.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1242 |
| Residual factor for significantly intense reflections | 0.0846 |
| Weighted residual factors for significantly intense reflections | 0.252 |
| Weighted residual factors for all reflections included in the refinement | 0.2918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4071495.cif |
| 178603 | 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 4/07/14. |
4071495.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071495.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071495.cif |
| 43866 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071492, 4071493, 4071494, 4071495 via cif-deposit CGI script. |
4071495.cif |
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Users of the data should acknowledge the original authors of the
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