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Information card for entry 4072906
Preview
| Coordinates | 4072906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H64 Li2 N2 O8 S2 |
|---|---|
| Calculated formula | C54 H64 Li2 N2 O8 S2 |
| SMILES | c1(c(cccc1C(C)C)C(C)C)N=S(=[O]1)(c2ccc(cc2)C)O[Li]([o]2cccc2)([o]2cccc2)[O]=S(=Nc2c(cccc2C(C)C)C(C)C)(c2ccc(cc2)C)O[Li]1([o]1cccc1)[o]1cccc1 |
| Title of publication | Synthesis and Reactions of Aluminum Sulfonamide Alkyls and Hydride |
| Authors of publication | Zhao, Jian; Song, Haibin; Cui, Chunming |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 8 |
| Pages of publication | 1947 |
| a | 11.27 ± 0.003 Å |
| b | 11.371 ± 0.003 Å |
| c | 12.802 ± 0.003 Å |
| α | 77.355 ± 0.004° |
| β | 75.431 ± 0.004° |
| γ | 65.187 ± 0.004° |
| Cell volume | 1429.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1191 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1692 |
| Weighted residual factors for all reflections included in the refinement | 0.2138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178618 (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 4/07/29. |
4072906.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4072906.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072906.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072906.cif |
| 46067 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072906 via cif-deposit CGI script. |
4072906.cif |
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Users of the data should acknowledge the original authors of the
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