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Information card for entry 2238444
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| Coordinates | 2238444.cif |
|---|---|
| Structure factors | 2238444.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(p-nitrophenyl) phosphate sodium salt |
|---|---|
| Chemical name | Poly[[μ-bis(4-nitrophenyl) phosphato-κ^2^<i>O</i>,<i>O</i>']sodium] |
| Formula | C12 H8 N2 Na O8 P |
| Calculated formula | C12 H8 N2 Na O8 P |
| SMILES | P(=O)(Oc1ccc(N(=O)=O)cc1)(Oc1ccc(N(=O)=O)cc1)[O-].[Na+] |
| Title of publication | Poly[[μ-bis(4-nitrophenyl) phosphato-κ^2^<i>O</i>,<i>O</i>']sodium] |
| Authors of publication | Gerus, Aleksandra; Lis, Tadeusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m464 - m465 |
| a | 6.963 ± 0.002 Å |
| b | 9.844 ± 0.003 Å |
| c | 11.213 ± 0.003 Å |
| α | 103.93 ± 0.03° |
| β | 105.83 ± 0.03° |
| γ | 106.38 ± 0.03° |
| Cell volume | 666.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/84. |
2238444.cif 2238444.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238444.cif 2238444.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238444.cif 2238444.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238444.cif 2238444.hkl |
| 88304 | 2013-09-04 | cif/ Adding structures of 2238444 via cif-deposit CGI script. |
2238444.cif |
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Users of the data should acknowledge the original authors of the
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