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Information card for entry 4109810
Preview
| Coordinates | 4109810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H54 B F6 N10 O2 P Ru |
|---|---|
| Calculated formula | C69 H54 B F6 N10 O2 P Ru |
| SMILES | [Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)C(=O)O)c1[n]2cccc1)[n]1ccccc1c1[n]3c(nc(n1)c1ccccc1)c1[n]4cccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC |
| Title of publication | Self-Assembled Light-Harvesting Systems: Ru(II) Complexes Assembled about Rh-Rh Cores |
| Authors of publication | Michael W. Cooke; Garry S. Hanan; Frédérique Loiseau; Sebastiano Campagna; Masashi Watanabe; Yasutaka Tanaka |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 10479 - 10488 |
| a | 12.9474 ± 0.0003 Å |
| b | 13.3066 ± 0.0003 Å |
| c | 19.128 ± 0.0004 Å |
| α | 90.348 ± 0.002° |
| β | 93.154 ± 0.001° |
| γ | 110.644 ± 0.001° |
| Cell volume | 3078.06 ± 0.12 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178844 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98. |
4109810.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 {}' |
4109810.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109810.cif |
| 58588 | 2012-05-29 | cif/ Adding structures of 4109810 via cif-deposit CGI script. |
4109810.cif |
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