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Information card for entry 7219280
Preview
| Coordinates | 7219280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H40 Ag2 N6 O6 S4 |
|---|---|
| Calculated formula | C36 H40 Ag2 N6 O6 S4 |
| SMILES | [S]1([Ag]2([N](=Cc3c(cccc3)SC)CC[N]2=Cc2ccccc2[S]([Ag]2([N](=Cc3c(cccc3)SC)CC[N]2=Cc2c1cccc2)ON(=O)=O)C)ON(=O)=O)C |
| Title of publication | Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity |
| Authors of publication | Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1856 |
| a | 7.7301 ± 0.0006 Å |
| b | 9.3388 ± 0.0005 Å |
| c | 14.2614 ± 0.0008 Å |
| α | 102.835 ± 0.005° |
| β | 102.369 ± 0.006° |
| γ | 95.408 ± 0.006° |
| Cell volume | 969.57 ± 0.11 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180523 (current) | 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 7/21/92. |
7219280.cif |
| 133239 | 2015-03-06 | cif/ Updating files of 7219279, 7219280, 7219281, 7219282, 7219283 Original log message: Adding full bibliography for 7219279--7219283.cif. |
7219280.cif |
| 129569 | 2015-01-13 | cif/ Adding structures of 7219279, 7219280, 7219281, 7219282, 7219283 via cif-deposit CGI script. |
7219280.cif |
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Users of the data should acknowledge the original authors of the
structural data.