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Information card for entry 7020847
Preview
| Coordinates | 7020847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H110 Ag20 Cl F27 O23 S10 |
|---|---|
| Calculated formula | C44 Ag20 Cl F6 O4 S10 |
| SMILES | C(C)(C)(C)[S]123[Ag]4567[O]=C(O[Ag]8925[S]25(C(C)(C)C)[Ag]%10%1148[Ag]482[S]2%12([Ag]%13%14%15[S]%16%17([Ag]%18%19%20[S]%21%22(C(C)(C)C)[Ag]1%18([Ag]13[S]3%18([Ag]%23%24%25[S]%26%27(C(C)(C)C)[Ag]%28%17%20%23[Ag]%17%20%14%16[O]=C(O[Ag]%14%26%28%20[S]%16%17(C(C)(C)C)[Ag]%17%20([S]%23%26(C(C)(C)C)[Ag]%28%11%17[S]6%10([Ag]713[Ag]%18%24%23%28[Ag]%25%27%14%20%26)C(C)(C)C)[Ag]%12%15%16)C(F)(F)F)C(C)(C)C)[Ag]958%22[Ag]42%13%19%21)C(C)(C)C)C(C)(C)C)C(F)(F)F.[Cl-] |
| Title of publication | Serendipitous anion-templated self-assembly of a sandwich-like Ag(20)S(10) macrocycle-based high-nuclearity luminescent nanocluster. |
| Authors of publication | Zhou, Kun; Wang, Xin-Long; Qin, Chao; Wang, Hai-Ning; Yang, Guang-Sheng; Jiao, Yan-Qing; Huang, Peng; Shao, Kui-Zhan; Su, Zhong-Min |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 5 |
| Pages of publication | 1352 - 1355 |
| a | 16.612 ± 0.003 Å |
| b | 26.014 ± 0.004 Å |
| c | 26.372 ± 0.004 Å |
| α | 90° |
| β | 91.58 ± 0.002° |
| γ | 90° |
| Cell volume | 11392 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1312 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.19 |
| Weighted residual factors for all reflections included in the refinement | 0.206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179913 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08. |
7020847.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020847.cif |
| 73685 | 2013-02-21 | cif/ Adding structures of 7020847 via cif-deposit CGI script. |
7020847.cif |
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