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Information card for entry 7022028
Preview
| Coordinates | 7022028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bisisonicotinate triethyleneglycol |
|---|---|
| Formula | C36 H40 Ag2 F12 N4 O12 P2 |
| Calculated formula | C36 H40 Ag2 F12 N4 O12 P2 |
| SMILES | c1cc2cc[n]1[Ag][n]1ccc(C(=O)OCCOCCOCCOC(=O)c3cc[n](cc3)[Ag][n]3ccc(C(=O)OCCOCCOCCOC2=O)cc3)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives. |
| Authors of publication | Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 1 |
| Pages of publication | 217 - 231 |
| a | 8.7123 ± 0.0017 Å |
| b | 9.806 ± 0.002 Å |
| c | 14.257 ± 0.003 Å |
| α | 75.58 ± 0.03° |
| β | 79.75 ± 0.03° |
| γ | 72.74 ± 0.03° |
| Cell volume | 1119.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.2747 |
| Residual factor for significantly intense reflections | 0.1096 |
| Weighted residual factors for significantly intense reflections | 0.236 |
| Weighted residual factors for all reflections included in the refinement | 0.3211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.823 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179925 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20. |
7022028.cif |
| 89949 | 2013-11-17 | cif/ Adding structures of 7022028, 7022029, 7022030, 7022031, 7022032, 7022033, 7022034, 7022035 via cif-deposit CGI script. |
7022028.cif |
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Users of the data should acknowledge the original authors of the
structural data.