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Information card for entry 7708131
Preview
| Coordinates | 7708131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (n6-p-tetramethylphenilendiamine)(n5-pentamethylcyclopentadienyl)ruthenium Hexafluorophosphate |
|---|---|
| Formula | C20 H31 F6 N2 P Ru |
| Calculated formula | C20 H31 F6 N2 P Ru |
| SMILES | [Ru]123456789([cH]%10[cH]5[c]6([cH]4[cH]3[c]1%10N(C)C)N(C)C)[c]1([c]2(C)[c]8(C)[c]9([c]71C)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me<sub>2</sub>N)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)]<sub>2</sub>. |
| Authors of publication | Longhi, Elena; Risko, Chad; Bacsa, John; Khrustalev, Victor; Rigin, Sergei; Moudgil, Karttikay; Timofeeva, Tatiana V.; Marder, Seth R.; Barlow, Stephen |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 37 |
| Pages of publication | 13020 - 13030 |
| a | 7.3432 ± 0.0017 Å |
| b | 17.294 ± 0.004 Å |
| c | 17.914 ± 0.004 Å |
| α | 90° |
| β | 100.443 ± 0.003° |
| γ | 90° |
| Cell volume | 2237.3 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269703 (current) | 2021-10-06 | cif/ Updating files of 7708131, 7708132, 7708133, 7708134 Original log message: Adding full bibliography for 7708131--7708134.cif. |
7708131.cif |
| 268208 | 2021-08-26 | cif/ Adding structures of 7708131, 7708132, 7708133, 7708134 via cif-deposit CGI script. |
7708131.cif |
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