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Information card for entry 4072173
Preview
| Coordinates | 4072173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H46 B10 N O3 Y |
|---|---|
| Calculated formula | C28 H46 B10 N O3 Y |
| SMILES | [Y]1234567([N](c8c(C6)cccc8)(C)C)([C]689%10[BH]%11%12%13[BH]%14%15%16[BH]%17%18%19[BH]%206([BH]6%21%18[BH]%18%15%17[BH]%15%12%14[BH]%128%11[BH]9%206[BH]%21%18%15%12)[C]%10%13%16%19[c]61[c]12cccc[c]31[cH]4[cH]56)[O](C)CC[O]7C.C1CCCO1 |
| Title of publication | Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2− |
| Authors of publication | Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5309 |
| a | 16.4219 ± 0.0013 Å |
| b | 17.2152 ± 0.0014 Å |
| c | 28.682 ± 0.002 Å |
| α | 90° |
| β | 120.51 ± 0.002° |
| γ | 90° |
| Cell volume | 6985.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2514 |
| Residual factor for significantly intense reflections | 0.0838 |
| Weighted residual factors for significantly intense reflections | 0.1908 |
| Weighted residual factors for all reflections included in the refinement | 0.2759 |
| 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 |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072173.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072173.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072173.cif |
| 44270 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072170, 4072171, 4072172, 4072173 via cif-deposit CGI script. |
4072173.cif |
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