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Information card for entry 2239073
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| Coordinates | 2239073.cif |
|---|---|
| Structure factors | 2239073.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
|---|---|
| Formula | C44 H48 Cu4 N8 O24 |
| Calculated formula | C44 H48 Cu4 N8 O24 |
| Title of publication | Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
| Authors of publication | Chygorin, Eduard N.; Smal, Yuri O.; Kokozay, Vladimir N.; Omelchenko, Irina V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m54 - m55 |
| a | 20.5587 ± 0.0014 Å |
| b | 20.5587 ± 0.0014 Å |
| c | 18.01 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7612.1 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1551 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.801 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239073.cif 2239073.hkl |
| 181309 | 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 2/23/90. |
2239073.cif 2239073.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239073.cif 2239073.hkl |
| 104950 | 2014-03-11 | cif/ hkl/ Adding structures of 2239073 via cif-deposit CGI script. |
2239073.cif 2239073.hkl |
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Users of the data should acknowledge the original authors of the
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