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Information card for entry 4072328
Preview
| Coordinates | 4072328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H48 B2 N3 Si2 Y |
|---|---|
| Calculated formula | C40 H48 B2 N3 Si2 Y |
| SMILES | [Y]123456789%10([B]%11(=[CH]9[CH]8=[CH]7[CH]6=[CH]5%11)N(c5ccccc5)c5ccccc5)(N([Si](C)(C)C)[Si](C)(C)C)[CH]5=[B]%10(N(c6ccccc6)c6ccccc6)[CH]4=[CH]3[CH]2=[CH]15 |
| Title of publication | Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement |
| Authors of publication | Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 23 |
| Pages of publication | 6307 |
| a | 8.6743 ± 0.0009 Å |
| b | 17.8926 ± 0.0019 Å |
| c | 25.385 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3939.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1445 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072328.cif |
| 178612 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/23. |
4072328.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072328.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072328.cif |
| 44352 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072326, 4072327, 4072328 via cif-deposit CGI script. |
4072328.cif |
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