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Information card for entry 2240670
Preview
| Coordinates | 2240670.cif |
|---|---|
| Structure factors | 2240670.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
|---|---|
| Formula | C46 H63 Cu4 N4 O19.5 |
| Calculated formula | C46 H62 Cu4 N4 O19.5 |
| Title of publication | Crystal structure of tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
| Authors of publication | Wang, Weilun; Ran, Jingwen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | m116 - m117 |
| a | 24.651 ± 0.008 Å |
| b | 16.395 ± 0.005 Å |
| c | 18.423 ± 0.006 Å |
| α | 90° |
| β | 129.584 ± 0.003° |
| γ | 90° |
| Cell volume | 5738 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1035 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.255 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240670.cif 2240670.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240670.cif 2240670.hkl |
| 136452 | 2015-05-13 | cif/ hkl/ Adding structures of 2240670 via cif-deposit CGI script. |
2240670.cif 2240670.hkl |
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Users of the data should acknowledge the original authors of the
structural data.