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Information card for entry 2228019
Preview
| Coordinates | 2228019.cif |
|---|---|
| Structure factors | 2228019.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[bis(3,5-diamino-1<i>H</i>-1,2,4-triazol-4-ium)copper(I)] tris(hexafluoridosilicate) |
|---|---|
| Formula | C8 H24 Cu2 F18 N20 Si3 |
| Calculated formula | C8 H24 Cu2 F18 N20 Si3 |
| SMILES | c1([nH][n](c([nH+]1)N)[Cu][n]1c([nH+]c([nH]1)N)N)N.F[Si](F)(F)(F)([F-])[F-].[Si](F)(F)(F)(F)([F-])[F-].c1([nH][n](c([nH+]1)N)[Cu][n]1c([nH+]c([nH]1)N)N)N.F[Si](F)(F)(F)([F-])[F-] |
| Title of publication | Bis[bis(3,5-diamino-1<i>H</i>-1,2,4-triazol-4-ium)copper(I)] tris(hexafluoridosilicate) |
| Authors of publication | Mys'kiv, Marian; Goreshnik, Evgeny |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1453 - m1454 |
| a | 7.482 ± 0.002 Å |
| b | 8.366 ± 0.001 Å |
| c | 12.131 ± 0.003 Å |
| α | 87.98 ± 0.02° |
| β | 89.11 ± 0.02° |
| γ | 67.89 ± 0.02° |
| Cell volume | 703.1 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0659 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 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 2/22/80. |
2228019.cif 2228019.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228019.cif 2228019.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228019.cif 2228019.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. | 2228019.cif 2228019.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228019.cif 2228019.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228019.cif 2228019.hkl |
| 5056 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228019 via cif-deposit CGI script. |
2228019.cif |
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Users of the data should acknowledge the original authors of the
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