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Information card for entry 2236012
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| Coordinates | 2236012.cif |
|---|---|
| Structure factors | 2236012.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) |
|---|---|
| Formula | C21 H19 Cu N3 O5 |
| Calculated formula | C21 H19 Cu N3 O5 |
| Title of publication | Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) |
| Authors of publication | Benghanem, Fatiha; Benramdane, Razika; Bouacida, Sofiane; Keraghel, Saida; Ourari, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1069 - m1070 |
| a | 23.162 ± 0.007 Å |
| b | 5.0997 ± 0.0014 Å |
| c | 7.769 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 917.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181282 (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 2/23/60. |
2236012.cif 2236012.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. |
2236012.cif 2236012.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236012.cif 2236012.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. | 2236012.cif 2236012.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2236012.cif 2236012.hkl |
| 66100 | 2012-09-06 | cif/ Adding structures of 2236012 via cif-deposit CGI script. |
2236012.cif |
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Users of the data should acknowledge the original authors of the
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