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Information card for entry 2233511
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| Coordinates | 2233511.cif |
|---|---|
| Structure factors | 2233511.hkl |
| Original IUCr paper | HTML |
| Chemical name | Allyl(ferrocenylmethyl)dimethylammonium perchlorate |
|---|---|
| Formula | C16 H22 Cl Fe N O4 |
| Calculated formula | C16 H22 Cl Fe N O4 |
| Title of publication | Allyl(ferrocenylmethyl)dimethylammonium perchlorate |
| Authors of publication | Wang, Ying-Chun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m180 |
| a | 15.165 ± 0.003 Å |
| b | 10.858 ± 0.002 Å |
| c | 25.976 ± 0.008 Å |
| α | 90° |
| β | 123.84 ± 0.02° |
| γ | 90° |
| Cell volume | 3552.7 ± 1.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1373 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (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 2/23/35. |
2233511.cif 2233511.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. |
2233511.cif 2233511.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233511.cif 2233511.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. | 2233511.cif 2233511.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233511.cif 2233511.hkl |
| 38307 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233511 via cif-deposit CGI script. |
2233511.cif |
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Users of the data should acknowledge the original authors of the
structural data.