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Information card for entry 2228070
Preview
| Coordinates | 2228070.cif |
|---|---|
| Structure factors | 2228070.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triimidazolium tris(pyridine-2,6-dicarboxylato)dysprosate(III) trihydrate |
|---|---|
| Formula | C30 H30 Dy N9 O15 |
| Calculated formula | C30 H30 Dy N9 O15 |
| SMILES | [Dy]123456([n]7c(C(=O)O1)cccc7C(=O)O4)(OC(=O)c1[n]6c(C(=O)O2)ccc1)[n]1c(C(=O)O5)cccc1C(=O)O3.c1c[nH]c[nH+]1.[nH]1c[nH+]cc1.c1c[nH+]c[nH]1.O.O.O |
| Title of publication | Triimidazolium tris(pyridine-2,6-dicarboxylato)dysprosate(III) trihydrate |
| Authors of publication | Meng, Lingzong; Duan, Chaowen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1291 - m1292 |
| a | 10.939 ± 0.002 Å |
| b | 12.099 ± 0.002 Å |
| c | 14.07 ± 0.003 Å |
| α | 88.57 ± 0.03° |
| β | 85.64 ± 0.03° |
| γ | 67.28 ± 0.03° |
| Cell volume | 1712.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0224 |
| Residual factor for significantly intense reflections | 0.0215 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228070.cif 2228070.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228070.cif 2228070.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228070.cif 2228070.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. | 2228070.cif 2228070.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228070.cif 2228070.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228070.cif 2228070.hkl |
| 5107 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228070 via cif-deposit CGI script. |
2228070.cif |
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Users of the data should acknowledge the original authors of the
structural data.