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Information card for entry 2227650
Preview
| Coordinates | 2227650.cif |
|---|---|
| Structure factors | 2227650.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')hydroidxo[<i>N</i>-(4- tolylsulfonyl)alaninato-κ^2^<i>N</i>,<i>O</i>^1^]copper(II) hemihydrate |
|---|---|
| Formula | C40 H44 Cu2 N6 O11 S2 |
| Calculated formula | C40 H44 Cu2 N6 O11 S2 |
| Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')hydroxido[<i>N</i>-(4-tolylsulfonyl)alaninato-κ^2^<i>N</i>,<i>O</i>^1^]copper(II) hemihydrate |
| Authors of publication | Huang, Miao-Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1312 |
| a | 7.7246 ± 0.0013 Å |
| b | 8.3637 ± 0.0014 Å |
| c | 16.908 ± 0.003 Å |
| α | 103.484 ± 0.008° |
| β | 95.034 ± 0.006° |
| γ | 99.656 ± 0.005° |
| Cell volume | 1038 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0613 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (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 2/22/76. |
2227650.cif 2227650.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. |
2227650.cif 2227650.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227650.cif 2227650.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. | 2227650.cif 2227650.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227650.cif 2227650.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227650.cif 2227650.hkl |
| 4687 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227650 via cif-deposit CGI script. |
2227650.cif |
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Users of the data should acknowledge the original authors of the
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