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Information card for entry 2230216
Preview
| Coordinates | 2230216.cif |
|---|---|
| Structure factors | 2230216.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]- μ-chlorido] |
|---|---|
| Formula | C13 H8 Cl Cu N5 O |
| Calculated formula | C13 H8 Cl Cu N5 O |
| SMILES | [Cu]12([Cl][Cu]34(Cl)[n]5ccccc5c5n4c(nc(=O)n5)c4[n]3cccc4)[n]3ccccc3c3n1c(nc(=O)n3)c1[n]2cccc1 |
| Title of publication | <i>catena</i>-Poly[[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]-μ-chlorido] |
| Authors of publication | Cao, Man-Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m739 |
| a | 3.7687 ± 0.0013 Å |
| b | 13.698 ± 0.005 Å |
| c | 11.852 ± 0.004 Å |
| α | 90° |
| β | 92.851 ± 0.006° |
| γ | 90° |
| Cell volume | 611.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181224 (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 2/23/02. |
2230216.cif 2230216.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. |
2230216.cif 2230216.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230216.cif 2230216.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. | 2230216.cif 2230216.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230216.cif 2230216.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230216.cif 2230216.hkl |
| 22184 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230216 via cif-deposit CGI script. |
2230216.cif |
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Users of the data should acknowledge the original authors of the
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