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Information card for entry 7241549
Preview
| Coordinates | 7241549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H22 N2 S2 |
|---|---|
| Calculated formula | C28 H22 N2 S2 |
| SMILES | S=C1N(c2c(C(=S)N(c3c1cccc3)Cc1ccccc1)cccc2)Cc1ccccc1 |
| Title of publication | Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence |
| Authors of publication | Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 2 |
| Pages of publication | 299 - 307 |
| a | 9.372 ± 0.0003 Å |
| b | 14.5073 ± 0.0009 Å |
| c | 16.6745 ± 0.0007 Å |
| α | 90° |
| β | 98.533 ± 0.003° |
| γ | 90° |
| Cell volume | 2242.01 ± 0.18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| 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 | 0.0666 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241549.cif |
| 261621 | 2021-02-05 | cif/ Updating files of 7241541, 7241542, 7241543, 7241544, 7241545, 7241546, 7241547, 7241548, 7241549, 7241550 Original log message: Adding full bibliography for 7241541--7241550.cif. |
7241549.cif |
| 259310 | 2020-11-29 | cif/ Adding structures of 7241541, 7241542, 7241543, 7241544, 7241545, 7241546, 7241547, 7241548, 7241549, 7241550 via cif-deposit CGI script. |
7241549.cif |
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Users of the data should acknowledge the original authors of the
structural data.