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Information card for entry 4082128
Preview
Coordinates | 4082128.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H39 Cl3 F6 Ir N4 P |
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Calculated formula | C30 H39 Cl3 F6 Ir N4 P |
SMILES | [Ir]12345(Cl)([n]6c(c7[n]1nn(c1c(C(C)C)cccc1C(C)C)c7)cccc6)[c]1(C)[c]2([c]4([c]3([c]51C)C)C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl |
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 | 11.952 ± 0.0019 Å |
b | 15.533 ± 0.003 Å |
c | 18.866 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3502.5 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.018 |
Residual factor for significantly intense reflections | 0.0165 |
Weighted residual factors for significantly intense reflections | 0.0401 |
Weighted residual factors for all reflections included in the refinement | 0.0407 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4082128.html
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