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Information card for entry 4060308
Preview
| Coordinates | 4060308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H20 N O5 P Si2 W |
|---|---|
| Calculated formula | C13 H20 N O5 P Si2 W |
| SMILES | [W]([PH](C([Si](C)(C)C)[Si](C)(C)C)C#N)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Photochemical and Thermal Reactions of a 2H-Azaphosphirene Complex with Isonitriles |
| Authors of publication | Ionescu, Emanuel; von Frantzius, Gerd; Jones, Peter G.; Streubel, Rainer |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 9 |
| Pages of publication | 2237 - 2240 |
| a | 6.9618 ± 0.0004 Å |
| b | 9.6073 ± 0.0008 Å |
| c | 16.1541 ± 0.0009 Å |
| α | 73.219 ± 0.003° |
| β | 89.975 ± 0.003° |
| γ | 81.823 ± 0.003° |
| Cell volume | 1022.98 ± 0.12 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0185 |
| Residual factor for significantly intense reflections | 0.0159 |
| Weighted residual factors for significantly intense reflections | 0.0341 |
| Weighted residual factors for all reflections included in the refinement | 0.0346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4060308.cif |
| 180558 | 2016-03-28 | cif/ (antanas@kurmis) Adding full bibliography and additional information from the original publication to entries 1100805, 4060308. Marking entry 1100805 as a duplicate of entry 4060308. |
4060308.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4060308.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4060308.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060308.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4060308.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4060308.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060308.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4060308.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4060308.cif |
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Users of the data should acknowledge the original authors of the
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