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Information card for entry 4082126
Preview
Coordinates | 4082126.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H50 Cl3 F6 N6 P Ru |
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Calculated formula | C39 H50 Cl3 F6 N6 P Ru |
SMILES | c1c(c(c(C(C)C)cc1)n1n[n]2c(c3[n](nn(c4c(cccc4C(C)C)C(C)C)c3)[Ru]345672([cH]2[c]3([cH]4[cH]5[c]6([cH]72)C)C(C)C)Cl)c1)C(C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene |
Authors of publication | Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7376 |
a | 25.763 ± 0.002 Å |
b | 16.6619 ± 0.0016 Å |
c | 21.024 ± 0.002 Å |
α | 90° |
β | 102.027 ± 0.005° |
γ | 90° |
Cell volume | 8826.7 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0966 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.126 |
Weighted residual factors for all reflections included in the refinement | 0.1445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4082126.html
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Users of the data should acknowledge the original authors of the
structural data.