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Information card for entry 1550240
Preview
Coordinates | 1550240.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H40 N2 Ru2 |
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Calculated formula | C42 H40 N2 Ru2 |
SMILES | [Ru]12345678([RuH]9%10%11%12([N]1(=[CH]4[CH]7=[N]29C)C)([CH]1=[CH]%11c2c([CH]%10=[CH]%12c4ccccc14)cccc2)[H]8)[CH]1c2c([CH]3=[CH]5c3ccccc3[CH]6=1)cccc2.c1ccccc1 |
Title of publication | A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones |
Authors of publication | Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 13.4659 ± 0.001 Å |
b | 14.5842 ± 0.0012 Å |
c | 17.9402 ± 0.0014 Å |
α | 83.467 ± 0.003° |
β | 80.563 ± 0.002° |
γ | 79.39 ± 0.003° |
Cell volume | 3403.4 ± 0.5 Å3 |
Cell temperature | 109 ± 2 K |
Ambient diffraction temperature | 108.8 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 | 0.0377 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0538 |
Weighted residual factors for all reflections included in the refinement | 0.0578 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/1550240.html
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