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Information card for entry 7712046
Preview
| Coordinates | 7712046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H221 Ag15 Cu12 O6 S18 |
|---|---|
| Calculated formula | C120 H221 Ag15 Cu12 O6 S18 |
| SMILES | [Ag]12345[Ag]6789[Ag]%10%11%12%13[Ag]%14%15%161[Ag]1%17%18[Ag]%19%20%21%22[Ag]%23%24%253[Ag]3[S]%13([Cu]%13%26[Cu]%27([S]%28([Ag]%29%306%10[Ag]6%10%28[Ag]%28%31%32%33[Ag]%34%35%36%37[Ag]%38%3921[Ag]1%19%34[S]%37([Cu]2%19[Cu]([S]%10%33C%10CCCCC%10)([S]%36([Cu]%10%33%35[Ag]7%146%28[S]%10([Cu]%15%29([S]%13%30C6CCCCC6)[S]%16([Cu]%17%23([S]%24([Cu]6([Cu]([S]%21([Cu]74%20[S]5([Cu]8%11([S]%12%27C4CCCCC4)[S]9([Cu]%31%38([S]%322C2CCCCC2)[S]%397C2CCCCC2)C2CCCCC2)C2CCCCC2)C2CCCCC2)([S]%253C2CCCCC2)[O]=C(O6)C)[S]%221C1CCCCC1)C1CCCCC1)[S]%18%33C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[O]=C(O%19)C)C1CCCCC1)C1CCCCC1)[O]=C(O%26)C)C1CCCCC1.C(C)CCCC |
| Title of publication | A bimetallic Ag<sub>15</sub>Cu<sub>12</sub>(S-<i>c</i>-C<sub>6</sub>H<sub>11</sub>)<sub>18</sub>(CH<sub>3</sub>COO)<sub>3</sub> nanocluster featuring an irregular Ag<sub>12</sub> kernel. |
| Authors of publication | Lin, Zhenzhen; Zhang, Ting; Fang, Cao; Jin, Shan; Xu, Chang; Hu, Daqiao; Zhu, Manzhou |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 4 |
| Pages of publication | 971 - 976 |
| a | 17.488 ± 0.0012 Å |
| b | 17.6703 ± 0.0012 Å |
| c | 30.473 ± 0.002 Å |
| α | 90.275 ± 0.005° |
| β | 96.68 ± 0.005° |
| γ | 93.511 ± 0.005° |
| Cell volume | 9334.6 ± 1.1 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1055 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1997 |
| Weighted residual factors for all reflections included in the refinement | 0.2341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283273 (current) | 2023-05-05 | cif/ Updating files of 7712046 Original log message: Adding full bibliography for 7712046.cif. |
7712046.cif |
| 280112 | 2023-01-05 | cif/ Adding structures of 7712046 via cif-deposit CGI script. |
7712046.cif |
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