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Information card for entry 1547533
Preview
| Coordinates | 1547533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | C6-FluoAuAgCu |
|---|---|
| Formula | C324 H396 Ag2.88 Au6 Cu3.12 |
| Calculated formula | C324 H396 Ag2.8757 Au6 Cu3.1243 |
| SMILES | [Au]1[C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Ag][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Cu][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Ag][C]1#Cc1ccc2c3c(cccc3)C(c2c1)(CCCCCC)CCCCCC.[Au]1[C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Cu][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Ag][C](#Cc2cc3c(cc2)c2ccccc2C3(CCCCCC)CCCCCC)[Au][C](#Cc2ccc3c(c2)C(c2c3cccc2)(CCCCCC)CCCCCC)[Cu][C]1#Cc1cc2c(cc1)c1c(cccc1)C2(CCCCCC)CCCCCC |
| Title of publication | Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system |
| Authors of publication | Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 80.2 ± 0.004 Å |
| b | 18.8497 ± 0.001 Å |
| c | 51.113 ± 0.003 Å |
| α | 90° |
| β | 128.112 ± 0.002° |
| γ | 90° |
| Cell volume | 60796 ± 6 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| 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 | 0.1145 |
| Residual factor for significantly intense reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.1936 |
| Weighted residual factors for all reflections included in the refinement | 0.2263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201668 (current) | 2017-10-04 | cif/ Adding structures of 1547531, 1547532, 1547533, 1547534, 1547535, 1547536, 1547537 via cif-deposit CGI script. |
1547533.cif |
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