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Information card for entry 7031293
Preview
Coordinates | 7031293.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H28 Cl N3 Ru |
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Calculated formula | C26 H28 Cl N3 Ru |
SMILES | [Ru]123456(Cl)(c7n(n[n+](c7c7c1cccc7)C)Cc1ccccc1)[c]1(C(C)C)[cH]2[cH]3[c]4([cH]5[cH]61)C |
Title of publication | 1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity. |
Authors of publication | Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 34 |
Pages of publication | 12842 |
a | 9.8559 ± 0.0005 Å |
b | 11.0428 ± 0.0006 Å |
c | 23.2448 ± 0.0013 Å |
α | 100.09 ± 0.003° |
β | 96.685 ± 0.003° |
γ | 109.776 ± 0.002° |
Cell volume | 2301.3 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0683 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.155 |
Weighted residual factors for all reflections included in the refinement | 0.1605 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7031293.html
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