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Information card for entry 4063426
Preview
| Coordinates | 4063426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H26 F6 N3 P Ru |
|---|---|
| Calculated formula | C9 H21 F6 N3 P Ru |
| SMILES | [RuH]1234([H][H]3)([H][H]4)[N]3(CC[N]1(CC[N]2(CC3)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis and Structure of a Novel Ruthenium Hydrido Bis(dihydrogen) Complex with 1,4,7-Trimethyl-1,4,7-triazacyclononane Ligand: A Useful Precursor for Synthesis of Heterometallic Complexes |
| Authors of publication | Shima, Takanori; Namura, Kyo; Kameo, Hajime; Kakuta, Satoshi; Suzuki, Hiroharu |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 337 |
| a | 12.6272 ± 0.0004 Å |
| b | 9.7739 ± 0.0003 Å |
| c | 14.2836 ± 0.0006 Å |
| α | 90° |
| β | 117.046 ± 0.0012° |
| γ | 90° |
| Cell volume | 1570.06 ± 0.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0296 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4063426.cif |
| 178529 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34. |
4063426.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 {}' |
4063426.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063426.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063426.cif |
| 19487 | 2011-05-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4063426, 4063427, 4063428, 4063429, 4063430 via cif-deposit CGI script. |
4063426.cif |
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