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Information card for entry 4313007
Preview
| Coordinates | 4313007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru(bpy)~2~(Me~2~Pqn)](PF~6~)~2~.CH~2~Cl~2~ |
|---|---|
| Chemical name | Bis(2,2'-bipyridyl)(8-dimethylphosphinoquinoline)ruthenium(II) Bis(hexafluorophosphate) Dichloromethane Solvate |
| Formula | C32 H30 Cl2 F12 N5 P3 Ru |
| Calculated formula | C32 H30 Cl2 F12 N5 P3 Ru |
| SMILES | [Ru]123([P](c4cccc5ccc[n]1c45)(C)C)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Ruthenium(II) Complexes Containing 8-(Dimethylphosphino)quinoline (Me2Pqn): Preparation, Crystal Structures, and Electrochemical and Spectroscopic Properties of [Ru(bpy or phen)3-n(Me2Pqn)n](PF6)2(bpy = 2,2'-Bipyridine; phen = 1,10-Phenanthroline; n= 1, 2, or 3) |
| Authors of publication | Takayoshi Suzuki; Takashi Kuchiyama; Shinobu Kishi; Sumio Kaizaki; Hideo D. Takagi; Masako Kato |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 785 - 795 |
| a | 9.143 ± 0.007 Å |
| b | 33.977 ± 0.01 Å |
| c | 12.521 ± 0.008 Å |
| α | 90° |
| β | 98.54 ± 0.05° |
| γ | 90° |
| Cell volume | 3847 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1759 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1675 |
| Weighted residual factors for all reflections included in the refinement | 0.2073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179183 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/30. |
4313007.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313007.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313007.cif |
| 6076 | 2011-01-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4313007 via cif-deposit CGI script. |
4313007.cif |
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