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Information card for entry 4063811
Preview
Coordinates | 4063811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H57 N3 Ru |
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Calculated formula | C63 H57 N3 Ru |
SMILES | [Ru]12([N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)(C#Cc1ccccc1)C(=C(C(=Cc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0) |
Authors of publication | Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 8 |
Pages of publication | 2125 |
a | 13.5498 ± 0.0006 Å |
b | 14.7146 ± 0.0007 Å |
c | 24.6258 ± 0.0012 Å |
α | 90° |
β | 100.683 ± 0.001° |
γ | 90° |
Cell volume | 4824.8 ± 0.4 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0528 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0969 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/4063811.html
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