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Information card for entry 2227166
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| Coordinates | 2227166.cif |
|---|---|
| Structure factors | 2227166.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-(2-pyridylsulfanyl)ethyl]ammonium perchlorate |
|---|---|
| Formula | C14 H18 Cl N3 O4 S2 |
| Calculated formula | C14 H18 Cl N3 O4 S2 |
| Title of publication | Bis[2-(2-pyridylsulfanyl)ethyl]ammonium perchlorate |
| Authors of publication | Wang, Guo-Qing; Ma, Cong-Hui; Li, Xiao-Feng; Li, Wen-Ge; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o2335 |
| a | 8.1265 ± 0.0006 Å |
| b | 9.2291 ± 0.0007 Å |
| c | 11.9872 ± 0.0009 Å |
| α | 90° |
| β | 97.534 ± 0.007° |
| γ | 90° |
| Cell volume | 891.28 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.2058 |
| Weighted residual factors for all reflections included in the refinement | 0.2141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181192 (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 2/22/71. |
2227166.cif 2227166.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. |
2227166.cif 2227166.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227166.cif 2227166.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. | 2227166.cif 2227166.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227166.cif 2227166.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227166.cif 2227166.hkl |
| 4203 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227166 via cif-deposit CGI script. |
2227166.cif |
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