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Information card for entry 4083284
Preview
| Coordinates | 4083284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H65 F24 N21 P4 Ru2 |
|---|---|
| Calculated formula | C76 H65 F24 N21 P4 Ru2 |
| SMILES | [Ru]1234([n]5ccccc5c5[n]1c(c1[n]2cccc1)c1[n]2[Ru]67([n]8ccccc8c52)([n]2c1cccc2)[n]1c2ccccc2n(c1c1[n]6c(ccc1)c1[n]7c2ccccc2n1C)C)[n]1c2ccccc2n(c1c1[n]3c(ccc1)c1[n]4c2ccccc2n1C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.N#CC.N#CC |
| Title of publication | Tuning of Metal–Metal Interactions in Mixed-Valence States of Cyclometalated Dinuclear Ruthenium and Osmium Complexes Bearing Tetrapyridylpyrazine or -benzene |
| Authors of publication | Nagashima, Takumi; Nakabayashi, Takuya; Suzuki, Takashi; Kanaizuka, Katsuhiko; Ozawa, Hiroaki; Zhong, Yu-Wu; Masaoka, Shigeyuki; Sakai, Ken; Haga, Masa-aki |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 18 |
| Pages of publication | 4893 |
| a | 10.5623 ± 0.0018 Å |
| b | 13.393 ± 0.002 Å |
| c | 31.978 ± 0.005 Å |
| α | 80.219 ± 0.002° |
| β | 84.491 ± 0.002° |
| γ | 67.483 ± 0.002° |
| Cell volume | 4115.7 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0591 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083284.cif |
| 178721 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32. |
4083284.cif |
| 171413 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with values 'none', 'NONE' from multiple entries. |
4083284.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 {}' |
4083284.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4083284.cif |
| 113765 | 2014-05-14 | cif/ Adding structures of 4083284 via cif-deposit CGI script. |
4083284.cif |
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