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Information card for entry 4072326
Preview
| Coordinates | 4072326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H60 B4 Cl2 N4 Y2 |
|---|---|
| Calculated formula | C36 H60 B4 Cl2 N4 Y2 |
| SMILES | [B]1(=[CH]2[CH]3=[CH]4[CH]5=[CH]1[Y]16789%102345([B]2(=[CH]9[CH]8=[CH]7[CH]6=[CH]12)N(CC)CC)[Cl][Y]123456789([B]%11(=[CH]9[CH]8=[CH]7[CH]6=[CH]5%11)N(CC)CC)([CH]5=[B]([CH]4=[CH]3[CH]2=[CH]15)N(CC)CC)[Cl]%10)N(CC)CC |
| 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 | 8.7156 ± 0.0012 Å |
| b | 29.666 ± 0.005 Å |
| c | 32.126 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8306 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 73 |
| Hermann-Mauguin space group symbol | I b c a |
| Hall space group symbol | -I 2b 2c |
| Residual factor for all reflections | 0.1498 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.761 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178612 (current) | 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. |
4072326.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072326.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072326.cif |
| 44352 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072326, 4072327, 4072328 via cif-deposit CGI script. |
4072326.cif |
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Users of the data should acknowledge the original authors of the
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