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Information card for entry 1568327
Preview
| Coordinates | 1568327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H44 B40 Cu4 S4 |
|---|---|
| Calculated formula | C8 H44 B40 Cu4 S4 |
| SMILES | [Cu]123[Cu]4([Cu]5([Cu]1([S]5[BH]1567[BH]89%10[CH]%11%12%13[BH]%14%15%16[CH]%17%18%19[BH]18([BH]9%11%15%18)[BH]16%19[BH]6%14%17[BH]8%13%16[BH]5%10%12[BH]7168)[S]3[BH]1356[BH]789[CH]%10%11%12[BH]%13%14%15[BH]%16%17%11[BH]17%10[BH]13%16[CH]3%15%17[BH]7%10%13[BH]8%12%14[BH]597[BH]613%10)[S]4[BH]1345[BH]678[BH]9%101[BH]1%11%12[CH]%13%14%15[BH]%16%171[CH]69%11[BH]17%16[BH]638[BH]5%14([BH]4%10%12%13)[BH]%15%1716)[S]2[B]1234[BH]567[CH]89%10[BH]%11%12%13[BH]%14%159[BH]158[BH]12%14[CH]2%13%15[BH]58%11[BH]6%10%12[BH]375[BH]4128 |
| 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 | 11.3989 ± 0.0007 Å |
| b | 11.9482 ± 0.0007 Å |
| c | 32.3144 ± 0.0019 Å |
| α | 90° |
| β | 91.213 ± 0.002° |
| γ | 90° |
| Cell volume | 4400.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1808 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.1819 |
| Weighted residual factors for all reflections included in the refinement | 0.2141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| 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. |
1568327.cif |
| 280542 | 2023-01-24 | cif/ Adding structures of 1568324, 1568325, 1568326, 1568327 via cif-deposit CGI script. |
1568327.cif |
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Users of the data should acknowledge the original authors of the
structural data.