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Information card for entry 4123925
Preview
| Coordinates | 4123925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C165 H157 Ag29 N7 O7 P4 S24 |
|---|---|
| Calculated formula | C144 H108 Ag29 P4 S24 |
| SMILES | [S]123c4cccc(c4)[S]4[Ag]5[S]67[Ag]89[Ag]%10%11%12%13%14%15%16%17%18%19[Ag]%20%21[S]%22%23[Ag]%24[S](c%25cccc6c%25)[Ag]2[S]2c6cccc([S]%25%26[Ag]%27%15[Ag]%15%11[S]%11%28c%29cc(ccc%29)[S]%29[Ag]%30[S]5c5cccc([S]%31([Ag]%32%10[Ag]%10%14[S]%14%33c%34cccc(c%34)[S]%24[Ag]2[S]2([Ag]%12%20[Ag]1%13%21)c1cccc(c1)[S]1[Ag]%26[S]%12c%13cccc([S]([Ag]8%17[Ag]9%18[S]8%30[Ag]%11([P](c9ccccc9)(c9ccccc9)c9ccccc9)[S]9([Ag]%19%32%10)c%10cc(ccc%10)[S]([Ag]1[S]([Ag]%16%27%15)(c1cccc(c1)[S]1[Ag]%33[S]([Ag]%31[S](c%10cc8ccc%10)[Ag]91)c1cccc%23c1)[Ag]%142[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ag]%28%12)([Ag]3%25[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ag]4%29)c%13)[Ag]7%22[P](c1ccccc1)(c1ccccc1)c1ccccc1)c5)c6 |
| Title of publication | Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster. |
| Authors of publication | AbdulHalim, Lina G.; Bootharaju, Megalamane S.; Tang, Qing; Del Gobbo, Silvano; AbdulHalim, Rasha G.; Eddaoudi, Mohamed; Jiang, De-En; Bakr, Osman M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 37 |
| Pages of publication | 11970 - 11975 |
| a | 34.2011 ± 0.0008 Å |
| b | 34.2011 ± 0.0008 Å |
| c | 34.2011 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 40005.5 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.1644 |
| Residual factor for significantly intense reflections | 0.0894 |
| Weighted residual factors for significantly intense reflections | 0.2114 |
| Weighted residual factors for all reflections included in the refinement | 0.2758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160538 (current) | 2015-10-06 | cif/ Updating files of 4123925 Original log message: Adding full bibliography for 4123925.cif. |
4123925.cif |
| 140972 | 2015-07-08 | cif/ Adding structures of 4123925 via cif-deposit CGI script. |
4123925.cif |
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