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Information card for entry 7003564
Preview
| Coordinates | 7003564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 2-Azido-1,3-bis(2,6-dimethylphenyl)-1,3,2-diazaphospholene |
|---|---|
| Chemical name | 2-Azido-1,3-bis(2,6-dimethylphenyl)-1,3,2-diazaphospholene |
| Formula | C18 H20 N5 P |
| Calculated formula | C18 H20 N5 P |
| SMILES | p1(N=N#N)n(ccn1c1c(cccc1C)C)c1c(cccc1C)C |
| Title of publication | Phosphazene vs.diazaphospholene PN-bond cleavage in spirocyclic cyclodiphosphazenes |
| Authors of publication | Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Schalley, Christoph A.; Weilandt, Torsten |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 26 |
| Pages of publication | 3478 - 3485 |
| a | 12.7383 ± 0.0008 Å |
| b | 10.8003 ± 0.0008 Å |
| c | 12.8025 ± 0.0006 Å |
| α | 90° |
| β | 90.415 ± 0.004° |
| γ | 90° |
| Cell volume | 1761.29 ± 0.19 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7003564.cif |
| 179739 | 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 7/00/35. |
7003564.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7003564.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003564.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003564.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003564.cif |
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Users of the data should acknowledge the original authors of the
structural data.