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Information card for entry 7246344
Preview
| Coordinates | 7246344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Bi Cl7 N4 O6 |
|---|---|
| Calculated formula | C36 H36 Bi Cl7 N4 O6 |
| SMILES | [Bi](Cl)(Cl)([Cl-])([Cl-])([Cl-])Cl.Oc1c2[nH+]cccc2ccc1.Oc1cccc2ccc[nH+]c12.c12c(cccc1ccc[nH+]2)O.c12c(cccc1ccc[nH+]2)O.[Cl-].O.O |
| Title of publication | On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline |
| Authors of publication | Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 13 |
| Pages of publication | 1993 - 2002 |
| a | 8.3593 ± 0.0001 Å |
| b | 13.0386 ± 0.0002 Å |
| c | 18.9457 ± 0.0003 Å |
| α | 76.385 ± 0.001° |
| β | 83.619 ± 0.001° |
| γ | 84.652 ± 0.001° |
| Cell volume | 1989.69 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.014 |
| Residual factor for significantly intense reflections | 0.0132 |
| Weighted residual factors for significantly intense reflections | 0.0327 |
| Weighted residual factors for all reflections included in the refinement | 0.0329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282324 (current) | 2023-04-04 | cif/ Updating files of 7246339, 7246340, 7246341, 7246342, 7246343, 7246344, 7246345, 7246346, 7246347, 7246348, 7246349, 7246350, 7246351, 7246352 Original log message: Adding full bibliography for 7246339--7246352.cif. |
7246344.cif |
| 281165 | 2023-02-28 | cif/ Adding structures of 7246339, 7246340, 7246341, 7246342, 7246343, 7246344, 7246345, 7246346, 7246347, 7246348, 7246349, 7246350, 7246351, 7246352 via cif-deposit CGI script. |
7246344.cif |
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Users of the data should acknowledge the original authors of the
structural data.