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Information card for entry 2228789
Preview
| Coordinates | 2228789.cif |
|---|---|
| Structure factors | 2228789.hkl |
| Original IUCr paper | HTML |
| Common name | {1,1'-[Butane-1,4-diylbis(nitrilomethylidyne)]di-2-naphtholato}copper(II) ethanol monosolvate |
|---|---|
| Chemical name | Bis(2-hydroxynaphtylidene)-1,4-butanediamine copper (II) ethanol solvate |
| Formula | C28 H28 Cu N2 O3 |
| Calculated formula | C28 H28 Cu N2 O3 |
| SMILES | [Cu]123Oc4ccc5ccccc5c4C=[N]2CCCC[N]3=Cc2c3ccccc3ccc2O1.OCC |
| Title of publication | {1,1'-[Butane-1,4-diylbis(nitrilomethylidyne)]di-2-naphtholato}copper(II) ethanol monosolvate |
| Authors of publication | Kargar, Hadi; Kia, Reza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m128 |
| a | 13.468 ± 0.003 Å |
| b | 22.606 ± 0.005 Å |
| c | 15.831 ± 0.003 Å |
| α | 90° |
| β | 95.84 ± 0.03° |
| γ | 90° |
| Cell volume | 4794.9 ± 1.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0984 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181208 (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 2/22/87. |
2228789.cif 2228789.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. |
2228789.cif 2228789.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228789.cif 2228789.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. | 2228789.cif 2228789.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228789.cif 2228789.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228789.cif 2228789.hkl |
| 9946 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228789 via cif-deposit CGI script. |
2228789.cif |
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Users of the data should acknowledge the original authors of the
structural data.