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Information card for entry 2236682
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| Coordinates | 2236682.cif |
|---|---|
| Structure factors | 2236682.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>'){2,2'-[pyridine-2,6- diylbis(methyleneoxy)]dibenzaldehyde-κ<i>O</i>^1^}dysprosium(III)‒ 2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1) |
|---|---|
| Formula | C42 H38 Dy N5 O19 |
| Calculated formula | C42 H38 Dy N5 O19 |
| SMILES | [Dy]123([O]=Cc4ccccc4OCc4nc(ccc4)COc4ccccc4C=O)([OH2])([OH2])([O]=N(=O)O1)(ON(=[O]3)=O)ON(=[O]2)=O.O=Cc1ccccc1OCc1nc(ccc1)COc1ccccc1C=O |
| Title of publication | Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>'){2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde-κ<i>O</i>^1^}dysprosium(III)‒2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1) |
| Authors of publication | Rodríguez de Luna, Sara Luisa; Elizondo, Perla; Bernès, Sylvain; Flores-Alamo, Marcos; López, Leyda E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1239 - m1240 |
| a | 7.7552 ± 0.0003 Å |
| b | 16.1249 ± 0.0008 Å |
| c | 17.7178 ± 0.0007 Å |
| α | 75.531 ± 0.004° |
| β | 85.173 ± 0.003° |
| γ | 88.398 ± 0.004° |
| Cell volume | 2137.71 ± 0.16 Å3 |
| Cell temperature | 136 ± 2 K |
| Ambient diffraction temperature | 136 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181288 (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 2/23/66. |
2236682.cif 2236682.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. |
2236682.cif 2236682.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236682.cif 2236682.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. | 2236682.cif 2236682.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236682.cif 2236682.hkl |
| 70282 | 2012-12-21 | cif/ Adding structures of 2236682 via cif-deposit CGI script. |
2236682.cif |
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Users of the data should acknowledge the original authors of the
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