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Information card for entry 4503012
Preview
| Coordinates | 4503012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H39 N4 O12 P3 S3 |
|---|---|
| Calculated formula | C21 H39 N4 O12 P3 S3 |
| Title of publication | Anion Cluster: Assembly of Dihydrogen Phosphates for the Formation of a Cyclic Anion Octamer. |
| Authors of publication | Hossain, Md Alamgir; Işıklan, Muhammet; Pramanik, Avijit; Saeed, Musabbir A.; Fronczek, Frank R. |
| Journal of publication | Crystal growth & design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 567 - 571 |
| a | 9.2366 ± 0.001 Å |
| b | 9.2366 ± 0.001 Å |
| c | 63.693 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4705.9 ± 0.8 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 6 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4503012.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4503012.cif |
| 113355 | 2014-05-11 | cif/ Updating files of 4503012 Original log message: Adding full bibliography for 4503012.cif. |
4503012.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503012.cif |
| 37821 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4503012 via cif-deposit CGI script. |
4503012.cif |
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Users of the data should acknowledge the original authors of the
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