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Information card for entry 7053896
Preview
| Coordinates | 7053896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H32 Ag N5 O13 |
|---|---|
| Calculated formula | C18 H32 Ag N5 O13 |
| SMILES | C(CO)[N](CCO)(CCO)[Ag]123[N](CC[OH]1)(CC[OH]2)CC[OH]3.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O |
| Title of publication | Synthesis, crystal structure investigation, DFT analyses and antimicrobial studies of silver(i) complexes with N,N,N′,N′′-tetrakis(2-hydroxyethyl/propyl) ethylenediamine and tris(2-hydroxyethyl)amine |
| Authors of publication | Kumar, Rakesh; Obrai, Sangeeta; Kaur, Amanpreet; Hundal, Maninder Singh; Meehnian, Harmanpreet; Jana, Asim Kumar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 3 |
| Pages of publication | 1186 |
| a | 9.194 ± 0.005 Å |
| b | 20.952 ± 0.005 Å |
| c | 13.625 ± 0.005 Å |
| α | 90° |
| β | 108.315 ± 0.005° |
| γ | 90° |
| Cell volume | 2491.7 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180092 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38. |
7053896.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. |
7053896.cif |
| 105633 | 2014-03-12 | cif/ Adding structures of 7053894, 7053895, 7053896 via cif-deposit CGI script. |
7053896.cif |
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Users of the data should acknowledge the original authors of the
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