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Information card for entry 4077667
Preview
| Coordinates | 4077667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H42 B10 O4 Yb |
|---|---|
| Calculated formula | C22 H42 B10 O4 Yb |
| SMILES | [Yb]1234567([C]89%10%11[C]%12%13%14([BH]%15%168[BH]8%17%12[BH]%12%18%13[BH]%139%14[BH]9%14%10[BH]%10%11%15[BH]%11%168[BH]8%17%12[BH]%18%139[BH]%14%10%118)C(C)(C)[c]81[cH]2[cH]3[c]15[c]48cccc1)([O](C)CC[O]6C)[O](C)CC[O]7C |
| 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 | 20.354 ± 0.0019 Å |
| b | 9.6415 ± 0.0007 Å |
| c | 15.4 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3022.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| 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. |
4077667.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4077667.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077667.cif |
| 54660 | 2012-04-28 | cif/ Adding structures of 4077665, 4077666, 4077667, 4077668, 4077669, 4077670, 4077671 via cif-deposit CGI script. |
4077667.cif |
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Users of the data should acknowledge the original authors of the
structural data.