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Information card for entry 2229466
Preview
| Coordinates | 2229466.cif |
|---|---|
| Structure factors | 2229466.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc |
|---|---|
| Formula | C24 H20 I2 N4 O4 Zn |
| Calculated formula | C24 H20 I2 N4 O4 Zn |
| SMILES | I[Zn](I)([n]1ccc(cc1)Cc1ccc(N(=O)=O)cc1)[n]1ccc(cc1)Cc1ccc(N(=O)=O)cc1 |
| Title of publication | Diiodidobis[4-(4-nitrobenzyl)pyridine-κ<i>N</i>^1^]zinc |
| Authors of publication | Smith, Graham; Wermuth, Urs D.; Williams, Michael L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m359 |
| a | 18.2091 ± 0.0002 Å |
| b | 15.8998 ± 0.0003 Å |
| c | 19.0327 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5510.37 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181215 (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 2/22/94. |
2229466.cif 2229466.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. |
2229466.cif 2229466.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229466.cif 2229466.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. | 2229466.cif 2229466.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229466.cif 2229466.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229466.cif 2229466.hkl |
| 17524 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229466 via cif-deposit CGI script. |
2229466.cif |
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Users of the data should acknowledge the original authors of the
structural data.