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Information card for entry 4315324
Preview
| Coordinates | 4315324.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H132 N16 O20 P6 |
|---|---|
| Calculated formula | C86 H132 N16 O20 P6 |
| SMILES | P1(=O)(NP(=NP(=[NH+]1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)NCc1ccccc1.P1(=O)(NP(=NP(=[NH+]1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)NCc1ccccc1.O=C(O)c1c(O)cc(c(O)c1)C(=O)O.O=C(O)c1c(O)cc(c(O)c1)C(=O)[O-].O=C(O)c1c(O)cc(c(O)c1)C(=O)[O-] |
| 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 | 11.4182 ± 0.001 Å |
| b | 20.1146 ± 0.0017 Å |
| c | 23.768 ± 0.002 Å |
| α | 65.877 ± 0.002° |
| β | 80.423 ± 0.002° |
| γ | 89.878 ± 0.002° |
| Cell volume | 4899.5 ± 0.7 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 | 0.1001 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297561 (current) | 2025-02-01 | cif/7 Fixing Z values and formulae |
4315324.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. |
4315324.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315324.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315324.cif |
| 8478 | 2011-02-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4315324 via cif-deposit CGI script. |
4315324.cif |
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