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Information card for entry 2230088
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| Coordinates | 2230088.cif |
|---|---|
| Structure factors | 2230088.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''- terpyridine]copper(I)copper(II)] |
|---|---|
| Formula | C20 H14 Cl3 Cu2 N4 |
| Calculated formula | C20 H14 Cl3 Cu2 N4 |
| SMILES | [Cu]123([Cl][Cu]45([Cl][Cu]64([Cl]5)[Cl][Cu]45(Cl)[n]7c(c8[n]4cccc8)cc(c4cc[n]([Cu](Cl)[Cl][Cu]89([n]%10c(c%11[n]8cccc%11)cc(c8cc[n]6cc8)cc%10c6[n]9cccc6)Cl)cc4)cc7c4[n]5cccc4)[n]4ccc(c5cc6c7[n](cccc7)[Cu]7([n]6c(c5)c5[n]7cccc5)([Cl][Cu](Cl)[n]5ccc(c6cc(c7[n]2cccc7)[n]1c(c6)c1[n]3cccc1)cc5)Cl)cc4)Cl |
| Title of publication | Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''-terpyridine]copper(I)copper(II)] |
| Authors of publication | Zhu, Chao-Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m639 |
| a | 8.1389 ± 0.0008 Å |
| b | 9.8161 ± 0.001 Å |
| c | 12.4823 ± 0.0013 Å |
| α | 79.512 ± 0.002° |
| β | 85.036 ± 0.002° |
| γ | 88.202 ± 0.002° |
| Cell volume | 976.78 ± 0.17 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181222 (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 2/23/00. |
2230088.cif 2230088.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. |
2230088.cif 2230088.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230088.cif 2230088.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. | 2230088.cif 2230088.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230088.cif 2230088.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230088.cif 2230088.hkl |
| 20158 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230088 via cif-deposit CGI script. |
2230088.cif |
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Users of the data should acknowledge the original authors of the
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