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Information card for entry 2227285
Preview
| Coordinates | 2227285.cif |
|---|---|
| Structure factors | 2227285.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(piperazine-1,4-diium) cyclotetraphosphate–telluric acid (1/2) |
|---|---|
| Formula | C10 H40 N4 O24 P4 Te2 |
| Calculated formula | C10 H40 N4 O24 P4 Te2 |
| SMILES | C1CC[NH2+]CC[NH2+]1.O[Te](O)(O)(O)(O)O.O1P(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP1(=O)[O-].C1CC[NH2+]CC[NH2+]1.O[Te](O)(O)(O)(O)O |
| Title of publication | Bis(homopiperazine-1,4-diium) cyclotetraphosphate–telluric acid (1/2) |
| Authors of publication | Hemissi, Hanène; Rzaigui, Mohammed; Al-Deyab, Salem S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2712 |
| a | 20.826 ± 0.003 Å |
| b | 8.36 ± 0.0013 Å |
| c | 17.03 ± 0.008 Å |
| α | 90° |
| β | 101.65 ± 0.03° |
| γ | 90° |
| Cell volume | 2903.9 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.56083 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227285.cif 2227285.hkl |
| 219800 | 2019-10-28 | cif/2 Fixing Z values and formulae |
2227285.cif 2227285.hkl |
| 181193 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/72. |
2227285.cif 2227285.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2227285.cif 2227285.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227285.cif 2227285.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227285.cif 2227285.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227285.cif 2227285.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227285.cif 2227285.hkl |
| 4322 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227285 via cif-deposit CGI script. |
2227285.cif |
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