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Information card for entry 4077671
Preview
| Coordinates | 4077671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H90 B20 Li O6 Yb |
|---|---|
| Calculated formula | C54 H90 B20 Li O6 Yb |
| SMILES | [Yb]123456789%10([C]%11%12%13%14[C]%15%16%17(C(C)(C)[c]%181[cH]2[cH]3[c]15[c]4%18cccc1)[BH]12%11[BH]34%15[BH]5%11%16[BH]%15%12%17[BH]%12%16%11[BH]%1145[BH]423[BH]2%131[BH]%14%15%12[BH]%16%1142)[C]1234[C]5%11%12(C(C)(C)[c]%136[cH]7[cH]8[c]6%10cccc[c]9%136)[BH]671[BH]185[BH]59%11[BH]%102%12[BH]2%119[BH]985[BH]571[BH]136[BH]4%102[BH]%11951.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry |
| Authors of publication | Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 3 |
| Pages of publication | 334 |
| a | 11.874 ± 0.002 Å |
| b | 31.547 ± 0.006 Å |
| c | 18.809 ± 0.004 Å |
| α | 90° |
| β | 105.16 ± 0.008° |
| γ | 90° |
| Cell volume | 6800 ± 2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1171 |
| Residual factor for significantly intense reflections | 0.0964 |
| Weighted residual factors for significantly intense reflections | 0.2345 |
| Weighted residual factors for all reflections included in the refinement | 0.2538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178665 (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 4/07/76. |
4077671.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077671.cif |
| 54660 | 2012-04-28 | cif/ Adding structures of 4077665, 4077666, 4077667, 4077668, 4077669, 4077670, 4077671 via cif-deposit CGI script. |
4077671.cif |
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