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Information card for entry 7006620
Preview
| Coordinates | 7006620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H123 B2 O11 Si Y |
|---|---|
| Calculated formula | C88 H123 B2 O11 Si Y |
| SMILES | [Y](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, structure and hydrosilylation activity of neutral and cationic rare-earth metal silanolate complexes. |
| Authors of publication | Elvidge, Benjamin R.; Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 7 |
| Pages of publication | 890 - 901 |
| a | 13.05 ± 0.0012 Å |
| b | 25.186 ± 0.002 Å |
| c | 25.083 ± 0.002 Å |
| α | 90° |
| β | 94.606 ± 0.002° |
| γ | 90° |
| Cell volume | 8217.6 ± 1.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.1011 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006620.cif |
| 179770 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/66. |
7006620.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006620.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006620.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006620.cif |
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