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Information card for entry 4072327
Preview
| Coordinates | 4072327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H68 B4 Cl2 N4 Y2 |
|---|---|
| Calculated formula | C75 H68 B4 Cl2 N4 Y2 |
| SMILES | [Y]123456789%10%11([Cl][Y]%12%13%14%15%16%17%18%19%20%21([Cl]1)([CH]1=[B]%20(N(c%20ccccc%20)c%20ccccc%20)[CH]%13=[CH]%12[CH]%18=[CH]%191)[CH]1=[B]%21(N(c%12ccccc%12)c%12ccccc%12)[CH]%17=[CH]%16[CH]%15=[CH]%141)([CH]1=[CH]2[CH]3=[CH]4[CH]5=[B]1%10N(c1ccccc1)c1ccccc1)[CH]1=[CH]6[CH]7=[CH]8[CH]9=[B]1%11N(c1ccccc1)c1ccccc1.c1cccc(c1)C |
| 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 | 11.8415 ± 0.0011 Å |
| b | 11.8468 ± 0.0011 Å |
| c | 24.244 ± 0.002 Å |
| α | 90° |
| β | 101.164 ± 0.002° |
| γ | 90° |
| Cell volume | 3336.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0954 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
| 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. |
4072327.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072327.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072327.cif |
| 44352 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072326, 4072327, 4072328 via cif-deposit CGI script. |
4072327.cif |
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Users of the data should acknowledge the original authors of the
structural data.