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Information card for entry 1518533
Preview
| Coordinates | 1518533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H72 Ag12 F18 N6 O12 S6 |
|---|---|
| Calculated formula | C90 H72 Ag12 F18 N6 O12 S6 |
| SMILES | [Ag]123[O]=C(C(F)(F)F)O[Ag]45[O]=C(C(F)(F)F)O[Ag]67[O]=C(C(F)(F)F)O[Ag]89[O]=C(C(F)(F)F)O[Ag]%10%11[O]=C(C(F)(F)F)O[Ag]([O]=C(O1)C(F)(F)F)([S]12([Ag]([S]46([Ag]([S]8%10([Ag]1[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1)[S]1%11([Ag]([S]35([Ag]([S]79([Ag]1[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1 |
| Title of publication | A thermochromic silver nanocluster exhibiting dual emission character. |
| Authors of publication | Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W. |
| Journal of publication | Nanoscale |
| Year of publication | 2015 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 1650 - 1654 |
| a | 23.9571 ± 0.0006 Å |
| b | 23.9571 ± 0.0006 Å |
| c | 16.5415 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8221.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| 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 |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518533.cif |
| 131089 | 2015-02-04 | cif/ Updating files of 1518533 Original log message: Adding full bibliography for 1518533.cif. |
1518533.cif |
| 129390 | 2015-01-06 | cif/ Adding structures of 1518533 via cif-deposit CGI script. |
1518533.cif |
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Users of the data should acknowledge the original authors of the
structural data.