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Information card for entry 1567110
Preview
| Coordinates | 1567110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H50 Ag F9 N16 O9 S3 |
|---|---|
| Calculated formula | C51 H50 Ag F9 N16 O9 S3 |
| SMILES | [Ag]123[n]4c5N(C)c6nc(N(c7[nH+]c(N(c8nc(N(c9[n]1c(N(c1nc(N(c%10[nH+]c(N(c%11nc(N(c4ccc5)C)[cH]2cc%11)C)ccc%10)C)ccc1)C)ccc9)C)[cH]3cc8)C)ccc7)C)ccc6.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. |
| Authors of publication | Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 27 |
| Pages of publication | 8095 - 8103 |
| a | 13.6223 ± 0.0002 Å |
| b | 29.4112 ± 0.0004 Å |
| c | 17.5734 ± 0.0003 Å |
| α | 90° |
| β | 111.122 ± 0.002° |
| γ | 90° |
| Cell volume | 6567.72 ± 0.19 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277099 (current) | 2022-08-06 | cif/ Updating files of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 Original log message: Adding full bibliography for 1567108--1567115.cif. |
1567110.cif |
| 276029 | 2022-06-15 | cif/ Adding structures of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 via cif-deposit CGI script. |
1567110.cif |
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