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Information card for entry 7046106
Preview
| Coordinates | 7046106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(pyridinium)-catena-[tris(μ-(4,4'-bipyridyl-N,N')tetrachloropraseodymate 4,4'-bipyridine solvate] |
|---|---|
| Formula | C30 H26 Cl4 N6 Pr |
| Calculated formula | C30 H26 Cl4 N6 Pr |
| 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 | 8.8374 ± 0.0018 Å |
| b | 20.136 ± 0.004 Å |
| c | 17.364 ± 0.004 Å |
| α | 90° |
| β | 92.75 ± 0.03° |
| γ | 90° |
| Cell volume | 3086.4 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.0783 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229885 (current) | 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. |
7046106.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. |
7046106.cif |
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Users of the data should acknowledge the original authors of the
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