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Information card for entry 4067094
Preview
| Coordinates | 4067094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H42 B2 Li2 O4 |
|---|---|
| Calculated formula | C28 H42 B2 Li2 O4 |
| Title of publication | Dilithio 9,10-Diborataanthracene: Molecular Structure and 1,4-Addition Reactions |
| Authors of publication | Lorbach, Andreas; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5762 |
| a | 8.5547 ± 0.0013 Å |
| b | 10.8865 ± 0.0015 Å |
| c | 16.236 ± 0.002 Å |
| α | 101.971 ± 0.011° |
| β | 104.514 ± 0.011° |
| γ | 100.804 ± 0.011° |
| Cell volume | 1385.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.127 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| 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. |
4067094.cif |
| 178505 | 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 4/06/70. |
4067094.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4067094.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067094.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067094.cif |
| 34080 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067094 via cif-deposit CGI script. |
4067094.cif |
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Users of the data should acknowledge the original authors of the
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