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Information card for entry 1568325
Preview
| Coordinates | 1568325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H44 B40 Cu4 S4 |
|---|---|
| Calculated formula | C8 H44 B40 Cu4 S4 |
| SMILES | [B]1234([BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]452[BH]263[BH]378[CH]642[CH]913[BH]%10%1156)[S]1[Cu]23[S]([B]4567[BH]89%10[BH]%11%124[BH]4%135[BH]5%146[BH]678[BH]785[BH]596[BH]6%10%11[CH]975[CH]%1246[BH]%13%1489)[Cu]43[Cu]3([S]([BH]5678[BH]9%10%11[BH]%12%135[BH]5%146[CH]6%15%16[CH]%17%18%19[BH]%1256[BH]9%13%17[BH]5%10%18[BH]68%11[BH]7%14%15[BH]%16%1956)[Cu]123)[S]4[BH]1234[BH]567[CH]89%10[CH]%11%12%13[BH]%14%159[BH]93([BH]3%162[BH]215[BH]%12%16([BH]%11%1593)[BH]7%10%132)[BH]468%14 |
| Title of publication | Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence. |
| Authors of publication | Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 1613 - 1626 |
| a | 11.4344 ± 0.0006 Å |
| b | 11.4344 ± 0.0006 Å |
| c | 29.4398 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3333.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281373 (current) | 2023-03-04 | cif/ Updating files of 1568324, 1568325, 1568326, 1568327 Original log message: Adding full bibliography for 1568324--1568327.cif. |
1568325.cif |
| 280542 | 2023-01-24 | cif/ Adding structures of 1568324, 1568325, 1568326, 1568327 via cif-deposit CGI script. |
1568325.cif |
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Users of the data should acknowledge the original authors of the
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