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Information card for entry 4063576
Preview
| Coordinates | 4063576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H52 B4 Cl2 N4 Y2 |
|---|---|
| Calculated formula | C34 H52 B4 Cl2 N4 Y2 |
| SMILES | [B]123=[CH]4[Y]56789%10%11%12%133([CH]1=[CH]%10[CH]%11=[CH]4%13)([CH]1=[CH]5[BH]6=[CH]%12[CH]7=[CH]81)([Cl][Y]1345678%10%11%12%13([B]%14(=[CH]3[CH]%10=[CH]%11[CH]%12=[CH]1%14)N(C=[N]7C(C)C)C(C)C)([BH]1=[CH]8[CH]6=[CH]5[CH]4=[CH]1%13)[Cl]9)N(C=[N]2C(C)C)C(C)C |
| Title of publication | Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand |
| Authors of publication | Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 16 |
| Pages of publication | 4330 |
| a | 8.906 ± 0.002 Å |
| b | 9.858 ± 0.002 Å |
| c | 11.773 ± 0.003 Å |
| α | 88.879 ± 0.005° |
| β | 71.535 ± 0.004° |
| γ | 76.056 ± 0.004° |
| Cell volume | 949.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0881 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.2149 |
| Weighted residual factors for all reflections included in the refinement | 0.2213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178530 (current) | 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 4/06/35. |
4063576.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063576.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063576.cif |
| 25633 | 2011-09-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4063574, 4063575, 4063576, 4063577, 4063578, 4063579 via cif-deposit CGI script. |
4063576.cif |
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Users of the data should acknowledge the original authors of the
structural data.