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Information card for entry 4313009
Preview
| Coordinates | 4313009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru(Me~2~Pqn)~3~](PF~6~)~2~.CH~2~Cl~2~ |
|---|---|
| Chemical name | mer-Tris(8-dimethylphosphinoquinoline)ruthenium(II) Hexafluorophosphate Dichloromethane Solvate |
| Formula | C34 H38 Cl2 F12 N3 P5 Ru |
| Calculated formula | C34 H38 Cl2 F12 N3 P5 Ru |
| SMILES | [Ru]123([P](C)(C)c4cccc5ccc[n]1c45)([P](C)(C)c1cccc4ccc[n]2c14)[P](C)(C)c1cccc2ccc[n]3c12.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 | 17.811 ± 0.005 Å |
| b | 18.643 ± 0.007 Å |
| c | 13.382 ± 0.003 Å |
| α | 98.45 ± 0.03° |
| β | 105.95 ± 0.02° |
| γ | 85.06 ± 0.03° |
| Cell volume | 4221 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1926 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1849 |
| Weighted residual factors for all reflections included in the refinement | 0.2463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| 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. |
4313009.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313009.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313009.cif |
| 6078 | 2011-01-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4313009 via cif-deposit CGI script. |
4313009.cif |
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