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Information card for entry 2234028
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| Coordinates | 2234028.cif |
|---|---|
| Structure factors | 2234028.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc |
|---|---|
| Formula | C21 H15 Cl2 N3 Zn |
| Calculated formula | C21 H15 Cl2 N3 Zn |
| SMILES | [Zn]12(Cl)(Cl)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1 |
| Title of publication | Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc |
| Authors of publication | Ma, Zhen; Liang, Baohuan; Yang, Mei; Lu, Lingjun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m298 - m299 |
| a | 12.0728 ± 0.001 Å |
| b | 9.564 ± 0.0008 Å |
| c | 17.5822 ± 0.0013 Å |
| α | 90° |
| β | 111.386 ± 0.005° |
| γ | 90° |
| Cell volume | 1890.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0372 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181262 (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 2/23/40. |
2234028.cif 2234028.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. |
2234028.cif 2234028.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234028.cif 2234028.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. | 2234028.cif 2234028.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234028.cif 2234028.hkl |
| 51293 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2234028 via cif-deposit CGI script. |
2234028.cif |
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Users of the data should acknowledge the original authors of the
structural data.