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Information card for entry 2230342
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| Coordinates | 2230342.cif |
|---|---|
| Structure factors | 2230342.hkl |
| Original IUCr paper | HTML |
| Chemical name | [4'-(4-Aminophenyl)-2,2':6',2''-terpyridine]chloridopalladium(II) chloride |
|---|---|
| Formula | C21 H16 Cl2 N4 Pd |
| Calculated formula | C21 H16 Cl2 N4 Pd |
| SMILES | [Pd]12(Cl)[n]3ccccc3c3cc(cc([n]13)c1cccc[n]21)c1ccc(N)cc1.[Cl-] |
| Title of publication | [4'-(4-Aminophenyl)-2,2':6',2''-terpyridine]chloridopalladium(II) chloride |
| Authors of publication | Thomas, John C.; Tiekink, Edward R. T.; Walmsley, Judith A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m773 - m774 |
| a | 10.853 ± 0.003 Å |
| b | 13.151 ± 0.003 Å |
| c | 13.654 ± 0.003 Å |
| α | 90° |
| β | 105.215 ± 0.006° |
| γ | 90° |
| Cell volume | 1880.5 ± 0.8 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1148 |
| Residual factor for significantly intense reflections | 0.0978 |
| Weighted residual factors for significantly intense reflections | 0.2237 |
| Weighted residual factors for all reflections included in the refinement | 0.2393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181225 (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 2/23/03. |
2230342.cif 2230342.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. |
2230342.cif 2230342.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230342.cif 2230342.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. | 2230342.cif 2230342.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230342.cif 2230342.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230342.cif 2230342.hkl |
| 22322 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230342 via cif-deposit CGI script. |
2230342.cif |
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Users of the data should acknowledge the original authors of the
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