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Information card for entry 2227140
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| Coordinates | 2227140.cif |
|---|---|
| Structure factors | 2227140.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Adipato-bis[chlorido(2,2':6',2''-terpyridine)copper(II)] tetrahydrate |
|---|---|
| Formula | C36 H38 Cl2 Cu2 N6 O8 |
| Calculated formula | C36 H38 Cl2 Cu2 N6 O8 |
| SMILES | Cl[Cu]12([n]3c(c4cccc[n]24)cccc3c2[n]1cccc2)OC(=O)CCCCC(=O)O[Cu]12(Cl)[n]3ccccc3c3cccc([n]13)c1[n]2cccc1.O.O.O.O |
| Title of publication | μ-Adipato-bis[chlorido(2,2':6',2''-terpyridine)copper(II)] tetrahydrate |
| Authors of publication | Xie, Hong-Zhen; Zhang, Yan-Guang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | m934 |
| a | 8.2334 ± 0.0016 Å |
| b | 9.5678 ± 0.0019 Å |
| c | 11.548 ± 0.002 Å |
| α | 83.42 ± 0.03° |
| β | 81.69 ± 0.03° |
| γ | 84.38 ± 0.03° |
| Cell volume | 891.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.245 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181192 (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 2/22/71. |
2227140.cif 2227140.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. |
2227140.cif 2227140.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227140.cif 2227140.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. | 2227140.cif 2227140.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227140.cif 2227140.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227140.cif 2227140.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227140.cif |
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Users of the data should acknowledge the original authors of the
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