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Information card for entry 7016127
Preview
Coordinates | 7016127.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H43 Cl N2 O P2 Ru |
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Calculated formula | C38 H43 Cl N2 O P2 Ru |
SMILES | [Ru]12(Cl)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])=C1N(C(=C(N1C(C)C)C)C)C(C2)C |
Title of publication | Formation and reactivity of the cyclometallated N-heterocyclic carbene complexes [Ru(NHC)'(dppe)(CO)H]. |
Authors of publication | Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 31 |
Pages of publication | 7858 - 7865 |
a | 10.617 ± 0.0001 Å |
b | 29.63 ± 0.0003 Å |
c | 11.835 ± 0.0002 Å |
α | 90° |
β | 112.223 ± 0.001° |
γ | 90° |
Cell volume | 3446.52 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0908 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/7016127.html
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