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Information card for entry 7218753
Preview
| Coordinates | 7218753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H30 N8 O18 |
|---|---|
| Calculated formula | C22 H30 N8 O18 |
| SMILES | C(C[NH+](CCO)CC[NH+](CCO)CCO)O.c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O |
| Title of publication | Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate |
| Authors of publication | Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 103 |
| Pages of publication | 59248 |
| a | 23.93 ± 0.0005 Å |
| b | 8.455 ± 0.0002 Å |
| c | 14.105 ± 0.0003 Å |
| α | 90° |
| β | 98.319 ± 0.0009° |
| γ | 90° |
| Cell volume | 2823.81 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1638 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218753.cif |
| 180518 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87. |
7218753.cif |
| 171492 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with placeholder values from multiple entries. |
7218753.cif |
| 127278 | 2014-11-12 | cif/ Adding structures of 7218751, 7218752, 7218753, 7218754 via cif-deposit CGI script. |
7218753.cif |
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