Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7217006
Preview
| Coordinates | 7217006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H29 I14 K2 Mo6 N5 O3 |
|---|---|
| Calculated formula | C16 H29 I14 K2 Mo6 N5 O3 |
| SMILES | [Mo]1234567([Mo]89%10%11%12%13([Mo]%14%15%16%17%18%19([Mo]%20%21%22%231([Mo]28%14([I]4%20)([I]5%10)([I]%12%16)([I]%18%22)I)([Mo]39%15([I]6%11)([I]7%21)([I]%13%17)([I]%19%23)I)I)I)I)I.[K+].[K+].N#CC.N#CC.N#CC.N#CC.N#CC.COCCOCCOC |
| Title of publication | Supramolecular assemblies of triblock copolymers with hexanuclear molybdenum clusters for sensing antibiotics in aqueous solutions via energy transfer |
| Authors of publication | Elistratova, Julia; Mikhailov, Maxim; Burilov, Vladimir; Babaev, Vasily; Rizvanov, Ildar; Mustafina, Asiya; Abramov, Pavel; Sokolov, Maxim; Konovalov, Alexander; Fedin, Vladimir |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 53 |
| Pages of publication | 27922 |
| a | 11.1975 ± 0.0004 Å |
| b | 13.062 ± 0.0004 Å |
| c | 18.1803 ± 0.0008 Å |
| α | 80.332 ± 0.001° |
| β | 86.953 ± 0.001° |
| γ | 89.764 ± 0.001° |
| Cell volume | 2617.58 ± 0.17 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180501 (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 7/21/70. |
7217006.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 {}' |
7217006.cif |
| 118834 | 2014-07-01 | cif/ Adding structures of 7217006, 7217007 via cif-deposit CGI script. |
7217006.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.