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Information card for entry 7046105
Preview
| Coordinates | 7046105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H19 Bi Cl4 N4 |
|---|---|
| Calculated formula | C20 H19 Bi Cl4 N4 |
| Title of publication | Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides. |
| Authors of publication | Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 23 |
| Pages of publication | 7669 - 7681 |
| a | 13.062 ± 0.003 Å |
| b | 12.287 ± 0.002 Å |
| c | 8.1125 ± 0.0015 Å |
| α | 90° |
| β | 121.421 ± 0.005° |
| γ | 90° |
| Cell volume | 1111.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046105.cif |
| 229885 | 2019-11-17 | cif/ Updating files of 7046099, 7046100, 7046101, 7046102, 7046103, 7046104, 7046105, 7046106, 7046107, 7046108, 7046109 Original log message: Adding full bibliography for 7046099--7046109.cif. |
7046105.cif |
| 207472 | 2018-04-25 | cif/ Adding structures of 7046099, 7046100, 7046101, 7046102, 7046103, 7046104, 7046105, 7046106, 7046107, 7046108, 7046109 via cif-deposit CGI script. |
7046105.cif |
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