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Information card for entry 7210211
Preview
| Coordinates | 7210211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H42 Ag4 F24 N18 O16 S8 |
|---|---|
| Calculated formula | C64 H42 Ag4 F24 N18 O16 S8 |
| SMILES | [Ag]123[n]4cc5c(cccc5)c[n]4[Ag]([n]4cc5ccccc5c[n]4[Ag]4[n]5cc6c(c[n]5[Ag]([n]5cc7c(c[n]35)cccc7)[n]3cc5ccccc5c[n]43)cccc6)([n]3cc4c(cccc4)c[n]13)[n]1cc3c(c[n]21)cccc3.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F |
| Title of publication | Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes. |
| Authors of publication | Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H. |
| Journal of publication | CrystEngComm / RSC |
| Year of publication | 2013 |
| Journal volume | 2013 |
| Journal issue | 21 |
| Pages of publication | 4221 - 4224 |
| a | 18.812 ± 0.0019 Å |
| b | 22.261 ± 0.002 Å |
| c | 20.92 ± 0.002 Å |
| α | 90° |
| β | 110.691 ± 0.002° |
| γ | 90° |
| Cell volume | 8195.7 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| 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. |
7210211.cif |
| 180433 | 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 7/21/02. |
7210211.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7210211.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
7210211.cif |
| 109955 | 2014-04-17 | cif/ Updating files of 7210209, 7210210, 7210211, 7210212 Original log message: Adding full bibliography for 7210209--7210212.cif. |
7210211.cif |
| 87062 | 2013-07-13 | cif/ Adding structures of 7210209, 7210210, 7210211, 7210212 via cif-deposit CGI script. |
7210211.cif |
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