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Information card for entry 7012851
Preview
| Coordinates | 7012851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H20 Cl O2 P Si2 |
|---|---|
| Calculated formula | C7 H20 Cl O2 P Si2 |
| SMILES | P(=O)(Cl)(O)C([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | An unconventional route to [(Me3Si)2HCPCl2W(CO)5] and its conversion to the structurally characterized P-chalcogenides (Me3Si)2HCP(X)Cl2 [X = S, Se] |
| Authors of publication | Khan, Arif Ali; Wismach, Cathleen; Jones, Peter G.; Streubel, Rainer |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 12 |
| Pages of publication | 2483 |
| a | 6.7903 ± 0.0006 Å |
| b | 8.7696 ± 0.0008 Å |
| c | 12.5541 ± 0.001 Å |
| α | 75.307 ± 0.003° |
| β | 77.234 ± 0.003° |
| γ | 72.823 ± 0.003° |
| Cell volume | 682.19 ± 0.1 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7012851.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012851.cif |
| 179832 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/28. |
7012851.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7012851.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012851.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012851.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012851.cif |
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Users of the data should acknowledge the original authors of the
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