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Information card for entry 7003568
Preview
| Coordinates | 7003568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,3-Bis-(2,6-diisopropylphenyl)-4,5-dimethyl-2-(1,3-bis-(2,6- diisopropyl-phenyl)-4,5-dimethyl-2-oxo-2lambda5-1,3,2- diazaphospholenylimino)-2lambda5-1,3,2-diazaphospholenylamine |
|---|---|
| Chemical name | 1,3-Bis-(2,6-diisopropylphenyl)-4,5-dimethyl-2-[1,3-bis-(2,6-diisopropyl- phenyl)-4,5-dimethyl-2-oxo-2lambda5-1,3,2-diazaphospholenylimino]- 2lambda5-1,3,2-diazaphospholenylamine |
| Formula | C70 H98 N6 O P2 |
| Calculated formula | C70 H98 N6 O P2 |
| 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 | 13.279 ± 0.003 Å |
| b | 14.542 ± 0.003 Å |
| c | 17.751 ± 0.004 Å |
| α | 102.26 ± 0.03° |
| β | 103.09 ± 0.03° |
| γ | 99.46 ± 0.03° |
| Cell volume | 3180.3 ± 1.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1805 |
| Residual factor for significantly intense reflections | 0.0794 |
| Weighted residual factors for significantly intense reflections | 0.1758 |
| Weighted residual factors for all reflections included in the refinement | 0.2192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7003568.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. |
7003568.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 {}' |
7003568.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003568.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003568.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. | 7003568.cif |
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Users of the data should acknowledge the original authors of the
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