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Information card for entry 7035939
Preview
Coordinates | 7035939.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | {(ppy)2 Ir [phen(N-o-Xyl)2]} (PF6) . MeCN |
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Formula | C52 H43 F6 Ir N7 P |
Calculated formula | C52 H43 F6 Ir N7 P |
SMILES | c12ccccc1c1cccc[n]1[Ir]132(c2c(c4cccc[n]34)cccc2)[n]2c3c4c(ccc[n]14)C(C(c3ccc2)=Nc1c(C)cccc1C)=Nc1c(cccc1C)C.N#CC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Novel phenanthroline-diaryldiazadiene ligands with heteroditopic coordination spheres. |
Authors of publication | Sorsche, Dieter; Pehlken, Christian; Baur, Christian; Rommel, Sebastian; Kastner, Katharina; Streb, Carsten; Rau, Sven |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 35 |
Pages of publication | 15404 - 15407 |
a | 8.9794 ± 0.0004 Å |
b | 16.0111 ± 0.0006 Å |
c | 17.5265 ± 0.0008 Å |
α | 113.881 ± 0.004° |
β | 92.391 ± 0.004° |
γ | 101.791 ± 0.003° |
Cell volume | 2233.54 ± 0.19 Å3 |
Cell temperature | 150.1 ± 0.4 K |
Ambient diffraction temperature | 150.1 ± 0.4 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0624 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1344 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7035939.html
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