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Information card for entry 4325875
Preview
Coordinates | 4325875.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H30 F10 Ir N6 P |
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Calculated formula | C35 H30 F10 Ir N6 P |
SMILES | [Ir]123([n]4ccccc4c4c(F)cc(F)cc14)([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1cn(n[n]31)CCCCCC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | "Click" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents |
Authors of publication | Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7598 - 7609 |
a | 12.9605 ± 0.0002 Å |
b | 14.0627 ± 0.0002 Å |
c | 18.7948 ± 0.0003 Å |
α | 90° |
β | 92.227 ± 0.001° |
γ | 90° |
Cell volume | 3422.95 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0268 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0599 |
Weighted residual factors for all reflections included in the refinement | 0.0609 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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