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Information card for entry 4123187
Preview
| Coordinates | 4123187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H82 Al2 Cu4 N4 S4 |
|---|---|
| Calculated formula | C58 H82 Al2 Cu4 N4 S4 |
| SMILES | CC1=CC(C)=[N]([Al]2(N1c1c(cccc1C(C)C)C(C)C)[S]1[Cu]34[S]5[Cu]63[S]2[Cu]26[Cu]14[S]2[Al]15[N](=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Synthesis and characterization of coinage metal aluminum sulfur species. |
| Authors of publication | Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 1 |
| Pages of publication | 162 - 164 |
| a | 15.1861 ± 0.0009 Å |
| b | 15.6922 ± 0.0011 Å |
| c | 14.0997 ± 0.0008 Å |
| α | 90° |
| β | 113.341 ± 0.007° |
| γ | 90° |
| Cell volume | 3085 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179033 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/31. |
4123187.cif |
| 130666 | 2015-02-04 | cif/ Updating files of 4123185, 4123186, 4123187, 4123188 Original log message: Adding full bibliography for 4123185--4123188.cif. |
4123187.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 {}' |
4123187.cif |
| 129175 | 2014-12-30 | cif/ Adding structures of 4123187 via cif-deposit CGI script. |
4123187.cif |
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Users of the data should acknowledge the original authors of the
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