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Information card for entry 7240353
Preview
| Coordinates | 7240353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Bi2 I4 |
|---|---|
| Calculated formula | C24 H18 Bi2 I4 |
| Title of publication | Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. |
| Authors of publication | Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 18 |
| Pages of publication | 10189 - 10211 |
| a | 9.4889 ± 0.0009 Å |
| b | 9.9731 ± 0.0009 Å |
| c | 14.6288 ± 0.0013 Å |
| α | 102.42 ± 0.003° |
| β | 93.506 ± 0.003° |
| γ | 92.701 ± 0.003° |
| Cell volume | 1346.9 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0253 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253998 (current) | 2020-07-06 | cif/ Updating files of 7240350, 7240351, 7240352, 7240353, 7240354, 7240355, 7240356, 7240357, 7240358 Original log message: Adding full bibliography for 7240350--7240358.cif. |
7240353.cif |
| 250973 | 2020-04-21 | cif/ Adding structures of 7240350, 7240351, 7240352, 7240353, 7240354, 7240355, 7240356, 7240357, 7240358 via cif-deposit CGI script. |
7240353.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.