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Information card for entry 8101994
Preview
| Coordinates | 8101994.cif |
|---|---|
| External links | PubChem |
| Chemical name | tetrakis(melaminium) 1,2,4,5-benzenetetracarboxylate octahydrate |
|---|---|
| Formula | C22 H46 N24 O16 |
| Calculated formula | C22 H46 N24 O16 |
| Title of publication | Crystal structure of tetrakis(melaminium) 1,2,4,5-benzenetetracarboxylate octahydrate, (C~3~H~7~N~6~)~4~[C~6~H~2~(COO)~4~] · 8H~2~O |
| Authors of publication | Du, Z.-X.; Han, M.-L.; Feng, X. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 313 - 315 |
| a | 7.0706 ± 0.0006 Å |
| b | 9.7952 ± 0.0008 Å |
| c | 14.7895 ± 0.0012 Å |
| α | 105.879 ± 0.001° |
| β | 91.608 ± 0.001° |
| γ | 96.254 ± 0.001° |
| Cell volume | 977.55 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1412 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101994.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101994.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8101994.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101994.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101994.cif |
| 12733 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101994 via cif-deposit CGI script. |
8101994.cif |
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