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Information card for entry 4069936
Preview
| Coordinates | 4069936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H92 O2 Si2 Yb2 |
|---|---|
| Calculated formula | C54 H92 O2 Si2 Yb2 |
| SMILES | [O]1([Yb]23456789([c]%10([cH]2[cH]3[c]234[c]4([cH]%11[cH]%12[c]9%102[Yb]29%10%1334%11%12([O]3CCCC3)[c]3([c]2([c]9([c]%10([c]%133C)C)C)C)C)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)[c]2([c]5([c]6([c]7([c]82C)C)C)C)C)CCCC1 |
| Title of publication | Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers |
| Authors of publication | Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 20 |
| Pages of publication | 5896 |
| a | 12.0652 ± 0.0004 Å |
| b | 16.9479 ± 0.0005 Å |
| c | 13.3213 ± 0.0004 Å |
| α | 90° |
| β | 92.64 ± 0.002° |
| γ | 90° |
| Cell volume | 2721.05 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178588 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/99. |
4069936.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069936.cif |
| 40517 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069936 via cif-deposit CGI script. |
4069936.cif |
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Users of the data should acknowledge the original authors of the
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