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Information card for entry 2235182
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| Coordinates | 2235182.cif |
|---|---|
| Structure factors | 2235182.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate |
|---|---|
| Formula | C18 H59 Cl8 N9 O9 S |
| Calculated formula | C18 H54 Cl8 N9 O8.996 S |
| Title of publication | Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate |
| Authors of publication | Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o1899 - o1900 |
| a | 12.6549 ± 0.0018 Å |
| b | 12.6549 ± 0.0018 Å |
| c | 43.616 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6049.1 ± 1.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| 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 |
|---|---|---|---|
| 181273 (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 2/23/51. |
2235182.cif 2235182.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. |
2235182.cif 2235182.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235182.cif 2235182.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. | 2235182.cif 2235182.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235182.cif 2235182.hkl |
| 61859 | 2012-07-05 | cif/ Adding structures of 2235182 via cif-deposit CGI script. |
2235182.cif |
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Users of the data should acknowledge the original authors of the
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