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Information card for entry 4315318
Preview
| Coordinates | 4315318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C24 H48 Cl2 N7 P3 |
|---|---|
| Calculated formula | C24 H48 Cl2 N7 P3 |
| SMILES | ClP1(Cl)=NP(=NP(=N1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1 |
| Title of publication | Aqueous Chemistry of Chlorocyclophosphazenes: Phosphates {PO2}, Phosphamides {P(O)NHR}, and the first Phosphites {PHO} and Pyrophosphates {(PO)2O} of These Heterocycles |
| Authors of publication | Joanne Ledger; Ramamoorthy Boomishankar; Alexander Steiner |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 3896 - 3904 |
| a | 11.1433 ± 0.0008 Å |
| b | 11.2351 ± 0.0008 Å |
| c | 13.3179 ± 0.001 Å |
| α | 71.9243 ± 0.0013° |
| β | 72.5543 ± 0.0011° |
| γ | 81.8594 ± 0.0012° |
| Cell volume | 1509.98 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4315318.cif |
| 179233 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53. |
4315318.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315318.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315318.cif |
| 8472 | 2011-02-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4315318 via cif-deposit CGI script. |
4315318.cif |
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Users of the data should acknowledge the original authors of the
structural data.