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Information card for entry 4079215
Preview
| Coordinates | 4079215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H54 Al N3 O S |
|---|---|
| Calculated formula | C39 H54 Al N3 O S |
| Title of publication | Reactivity Studies of LAlH2(L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3) with 2-Aminobenzenethiol, 2-Aminophenol, and 1,4-Dithiane-2,5-diol |
| Authors of publication | Yang, Zhi; Hao, Pengfei; Liu, Zhihong; Ma, Xiaoli; Roesky, Herbert W.; Sun, Kening; Li, Jiarong |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 17 |
| Pages of publication | 6500 |
| a | 17.212 ± 0.005 Å |
| b | 19.886 ± 0.006 Å |
| c | 21.885 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7491 ± 4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c a |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0775 |
| Weighted residual factors for significantly intense reflections | 0.1849 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' 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 524 files were changed. |
4079215.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4079215.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079215.cif |
| 72358 | 2013-01-21 | cif/ Adding structures of 4079215, 4079216, 4079217 via cif-deposit CGI script. |
4079215.cif |
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Users of the data should acknowledge the original authors of the
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