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Information card for entry 4102162
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4102162.cif |
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Original paper (by DOI) | HTML |
Formula | C50 H56 N8 Ru2 |
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Calculated formula | C50 H56 N8 Ru2 |
SMILES | C1(c2cccc3C(=[N](c4c(cccc4C)C)[RuH]([N]=1c1c(cccc1C)C)([n]23)[N]#[N][RuH]12[N](=C(c3cccc(C(=[N]2c2c(cccc2C)C)C)[n]13)C)c1c(cccc1C)C)C)C |
Title of publication | Evidence for Ligand Non-innocence in a Formally Ruthenium(I) Hydride Complex |
Authors of publication | Noah L. Wieder; Michelle Gallagher; Patrick J. Carroll; Donald H. Berry |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 4107 - 4109 |
a | 20.888 ± 0.003 Å |
b | 11.7854 ± 0.0019 Å |
c | 21.287 ± 0.003 Å |
α | 90° |
β | 119.255 ± 0.001° |
γ | 90° |
Cell volume | 4571.9 ± 1.2 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0642 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.1353 |
Weighted residual factors for all reflections included in the refinement | 0.1413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102162.html
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Users of the data should acknowledge the original authors of the
structural data.