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Information card for entry 4510632
Preview
| Coordinates | 4510632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Aquaditherobrominesilver(I) perchlorate |
|---|---|
| Chemical name | Aquaditherobrominesilver(I) perchlorate |
| Formula | C14 H18 Ag Cl N8 O9 |
| Calculated formula | C14 H18 Ag Cl N8 O9 |
| SMILES | C1(=O)NC(=O)c2c(N1C)[n](cn2C)[Ag][n]1c2c(C(=O)NC(=O)N2C)n(C)c1.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands |
| Authors of publication | Kulikov, Vladislav; Meyer, Gerd |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 2916 |
| a | 7.4803 ± 0.0008 Å |
| b | 16.162 ± 0.003 Å |
| c | 16.974 ± 0.0018 Å |
| α | 90° |
| β | 101.21 ± 0.008° |
| γ | 90° |
| Cell volume | 2012.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0457 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179653 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06. |
4510632.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4510632.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4510632.cif |
| 113097 | 2014-05-08 | cif/ Adding structures of 4510631, 4510632, 4510633, 4510634, 4510635, 4510636, 4510637, 4510638 via cif-deposit CGI script. |
4510632.cif |
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Users of the data should acknowledge the original authors of the
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