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Information card for entry 7052824
Preview
| Coordinates | 7052824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | NA |
|---|---|
| Formula | C132 H138 N24 O33 Ru3 |
| Calculated formula | C120 H90 N21 O12 Ru3 |
| SMILES | c12cccc[n]2[Ru]234([n]5c1cc(cc5c1[n]2cccc1)c1ccc(OC)cc1)[n]1c(cccc1)c1[n]3c(cc(c1)c1c(C)c(c2cc3[n]5c(c2)c2[n](cccc2)[Ru]265([n]5c(cccc5)c5cc(cc([n]25)c2[n]6cccc2)c2ccc(OC)cc2)[n]2c3cccc2)c(c(c2cc3[n]5c(c2)c2[n](cccc2)[Ru]265([n]5c(cccc5)c5cc(cc([n]25)c2[n]6cccc2)c2ccc(OC)cc2)[n]2c3cccc2)c1C)C)c1[n]4cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties |
| Authors of publication | Wang, Jin-Liang; Li, Xiaopeng; Shreiner, Carol D.; Lu, Xiaocun; Moorefield, Charles N.; Tummalapalli, Sreedhar R.; Medvetz, Douglas A.; Panzner, Matthew J.; Fronczek, Frank R.; Wesdemiotis, Chrys; Newkome, George R. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 2 |
| Pages of publication | 484 |
| a | 31.823 ± 0.007 Å |
| b | 31.823 ± 0.007 Å |
| c | 21.495 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 18852 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0797 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180082 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28. |
7052824.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 {}' |
7052824.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052824.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052824.cif |
| 33592 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052824 via cif-deposit CGI script. |
7052824.cif |
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