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Information card for entry 4068550
Preview
| Coordinates | 4068550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C99 H107 Bi4 Br8 |
|---|---|
| Calculated formula | C99 H107 Bi4 Br8 |
| Title of publication | Novel Sterically Congested Monoorganobismuth(III) Compounds: Synthesis, Structure, and Bismuth−Arene π Interaction in ArBiXY (X, Y = Br, I, OH, 2,6-Mes2-4-t-Bu-C6H2PHO2) |
| Authors of publication | Breunig, Hans J.; Haddad, Nawja; Lork, Enno; Mehring, Michael; Mügge, Clemens; Nolde, Christof; Raţ, Ciprian I.; Schürmann, Markus |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 4 |
| Pages of publication | 1202 |
| a | 11.201 ± 0.002 Å |
| b | 17.161 ± 0.004 Å |
| c | 14.047 ± 0.003 Å |
| α | 90° |
| β | 95.25 ± 0.01° |
| γ | 90° |
| Cell volume | 2688.8 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1079 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1585 |
| Weighted residual factors for all reflections included in the refinement | 0.181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4068550.cif |
| 178575 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85. |
4068550.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068550.cif |
| 39864 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068549, 4068550, 4068551, 4068552, 4068553, 4068554 via cif-deposit CGI script. |
4068550.cif |
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