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Information card for entry 2232250
Preview
| Coordinates | 2232250.cif |
|---|---|
| Structure factors | 2232250.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3- dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate |
|---|---|
| Formula | C21 H28 Cl2 Cu2 N2 O7 |
| Calculated formula | C21 H28 Cl2 Cu2 N2 O7 |
| SMILES | [Cu]123(Oc4ccccc4C=[N]3C[C@@H]([OH]2)CO)[Cl][Cu]23([N](=Cc4c(O2)cccc4)C[C@H]([OH]3)CO)[Cl]1.CO |
| Title of publication | Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3-dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate |
| Authors of publication | Li, Yong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1539 |
| a | 15.49 ± 0.003 Å |
| b | 15.252 ± 0.003 Å |
| c | 19.951 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4713.5 ± 1.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232250.cif 2232250.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2232250.cif 2232250.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232250.cif 2232250.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. | 2232250.cif 2232250.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232250.cif 2232250.hkl |
| 30903 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232250 via cif-deposit CGI script. |
2232250.cif |
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Users of the data should acknowledge the original authors of the
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