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Information card for entry 2018901
Preview
| Coordinates | 2018901.cif |
|---|---|
| Structure factors | 2018901.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[decaaquabis[μ~3~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]bis[μ~2~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]tetracopper(II)dineodymium(III)] bis{[2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]cuprate(II)} tetradecahydrate] |
|---|---|
| Formula | C33 H48 Br3 Cu3 N6 Nd O24 |
| Calculated formula | C33 H48 Br3 Cu3 N6 Nd O24 |
| Title of publication | Analogy to a Chinese knot in an ion-pair copper(II)‒neodymium(III) complex based on a hexadentate Schiff base condensation product of 5-bromosalicylaldehyde and glycylglycine |
| Authors of publication | Xu, Li-Qing; Lu, Li-Ping; Zhu, Miao-Li |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 376 - 379 |
| a | 11.357 ± 0.003 Å |
| b | 12.588 ± 0.003 Å |
| c | 19.254 ± 0.005 Å |
| α | 84.268 ± 0.012° |
| β | 77.257 ± 0.012° |
| γ | 66.283 ± 0.01° |
| Cell volume | 2457.9 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1019 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018901.cif 2018901.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018901.cif 2018901.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018901.cif 2018901.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018901.cif 2018901.hkl |
| 85344 | 2013-05-07 | cif/ Adding structures of 2018901 via cif-deposit CGI script. |
2018901.cif |
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Users of the data should acknowledge the original authors of the
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