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Information card for entry 4077477
Preview
| Coordinates | 4077477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H164 O12 P4 Si8 Yb4 |
|---|---|
| Calculated formula | C68 H124 O8 P4 Si8 Yb4 |
| SMILES | [Yb]1234([O]56c7c([P]3(C([Si](C)(C)C)[Si](C)(C)C)[Yb]386([O]62c2c([P]4(C([Si](C)(C)C)[Si](C)(C)C)[Yb]496([O]61c1c([P]9(C([Si](C)(C)C)[Si](C)(C)C)[Yb]956([O]34c3c([P]89C([Si](C)(C)C)[Si](C)(C)C)cccc3)[O]3CCCC3)cccc1)[O]1CCCC1)cccc2)[O]1CCCC1)cccc7)[O]1CCCC1 |
| Title of publication | Synthesis and Structural Characterization of the First Lanthanide(II) Cuboidal Cluster. Unexpected C−O Activation by an Unchanged Ytterbium(II) Center |
| Authors of publication | Clegg, William; Izod, Keith; Liddle, Stephen T.; O'Shaughness, Paul; Sheffield, Joanne M. |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 11 |
| Pages of publication | 2090 |
| a | 20.323 ± 0.004 Å |
| b | 20.323 ± 0.004 Å |
| c | 12.743 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5263.2 ± 1.9 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178663 (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 4/07/74. |
4077477.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077477.cif |
| 54588 | 2012-04-28 | cif/ Adding structures of 4077476, 4077477 via cif-deposit CGI script. |
4077477.cif |
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Users of the data should acknowledge the original authors of the
structural data.