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Information card for entry 7708134
Preview
| Coordinates | 7708134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H62 N4 Ru2 |
|---|---|
| Calculated formula | C40 H62 N4 Ru2 |
| SMILES | [Ru]12345678([C]9(N(C)C)[C@H]([C@H]%10[C]%11([Ru]%12%13%14%15%16%17%18([c]%19([c]%12([c]%13([c]%18([c]%17%19C)C)C)C)C)[C](C%16[CH]=%11%15)(N(C)C)=[CH]%10%14)N(C)C)[CH]3=[C]5(C4[CH]1=9)N(C)C)[c]1([c]2([c]7([c]8([c]61C)C)C)C)C.[Ru]12345678([C]9(N(C)C)[C@@H]([C@@H]%10[C]%11([Ru]%12%13%14%15%16%17%18([c]%19([c]%12([c]%13([c]%18([c]%17%19C)C)C)C)C)[C](C%16[CH]=%11%15)(N(C)C)=[CH]%10%14)N(C)C)[CH]3=[C]5(C4[CH]1=9)N(C)C)[c]1([c]2([c]7([c]8([c]61C)C)C)C)C |
| 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 | 10.6226 ± 0.0001 Å |
| b | 12.2061 ± 0.0002 Å |
| c | 15.1648 ± 0.0001 Å |
| α | 89.304 ± 0.001° |
| β | 79.584 ± 0.001° |
| γ | 72.407 ± 0.001° |
| Cell volume | 1841.53 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0275 |
| Diffraction radiation probe | x-ray |
| 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. |
7708134.cif |
| 268208 | 2021-08-26 | cif/ Adding structures of 7708131, 7708132, 7708133, 7708134 via cif-deposit CGI script. |
7708134.cif |
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Users of the data should acknowledge the original authors of the
structural data.