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Information card for entry 4340270
Preview
| Coordinates | 4340270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H19 B9 N2 O Ru |
|---|---|
| Calculated formula | C13 H19 B9 N2 O Ru |
| SMILES | [Ru]12345([n]6ccccc6c6[n]1cccc6)([BH]167[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]631[BH]132[BH]%11%14([BH]%15961)[CH]5%133[CH]47%10%12)C#[O] |
| Title of publication | Synthesis and characterization of ruthenacarborane complexes incorporating chelating N-donor ligands: unexpected luminescence from the complex [3-CO-3,3-kappa2-Me2N(CH2)2NMe2]-closo-3,1,2-RuC2B9H11]. |
| Authors of publication | Jelliss, Paul A.; Mason, Justin; Nazzoli, Jamie M.; Orlando, Justin H.; Vinson, Albert; Rath, Nigam P.; Shaw, Michael J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 370 - 385 |
| a | 7.5955 ± 0.0002 Å |
| b | 21.3584 ± 0.0006 Å |
| c | 11.044 ± 0.0003 Å |
| α | 90° |
| β | 102.502 ± 0.001° |
| γ | 90° |
| Cell volume | 1749.16 ± 0.08 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.237 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179505 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02. |
4340270.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 {}' |
4340270.cif |
| 118709 | 2014-06-30 | cif/ Adding structures of 4340270, 4340271 via cif-deposit CGI script. |
4340270.cif |
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