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Information card for entry 7246142
Preview
| Coordinates | 7246142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H36 Cd2 O16 |
|---|---|
| Calculated formula | C33 H36 Cd2 O16 |
| Title of publication | On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation |
| Authors of publication | Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 7 |
| Pages of publication | 1058 - 1066 |
| a | 7.794 ± 0.0003 Å |
| b | 14.7078 ± 0.0006 Å |
| c | 15.9272 ± 0.0006 Å |
| α | 67.884 ± 0.004° |
| β | 86.175 ± 0.003° |
| γ | 82.86 ± 0.003° |
| Cell volume | 1677.93 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281452 (current) | 2023-03-04 | cif/ Updating files of 7246140, 7246141, 7246142, 7246143 Original log message: Adding full bibliography for 7246140--7246143.cif. |
7246142.cif |
| 280403 | 2023-01-18 | cif/ Adding structures of 7246140, 7246141, 7246142, 7246143 via cif-deposit CGI script. |
7246142.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.