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Information card for entry 2018376
Preview
| Coordinates | 2018376.cif |
|---|---|
| Structure factors | 2018376.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)imidazolidin-3-ium iodide salt |
|---|---|
| Formula | C24 H29 Fe I N2 |
| Calculated formula | C24 H29 Fe I N2 |
| SMILES | [I-].[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)CN1C=[N+](CC1)Cc1c(cc(cc1C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | 1-Ferrocenylmethyl-3-(2,4,6-trimethylbenzyl)-1<i>H</i>-imidazolidin-3-ium iodide and <i>trans</i>-bis(3-benzyl-1-ferrocenylmethyl-1<i>H</i>-imidazolidin-2-ylidene)diiodidopalladium(II) |
| Authors of publication | Daran, Jean-Claude; Demirhan, Funda; Yıldırım, Özgür; Çetinkaya, Bekir |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m48 - m52 |
| a | 10.6277 ± 0.0012 Å |
| b | 7.4514 ± 0.0008 Å |
| c | 28.293 ± 0.003 Å |
| α | 90° |
| β | 95.603 ± 0.009° |
| γ | 90° |
| Cell volume | 2229.9 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018376.cif 2018376.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018376.cif 2018376.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018376.cif 2018376.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. | 2018376.cif 2018376.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018376.cif 2018376.hkl |
| 38345 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018376, 2018377 via cif-deposit CGI script. |
2018376.cif |
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Users of the data should acknowledge the original authors of the
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