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Information card for entry 4089192
Preview
Coordinates | 4089192.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H46 F8 Ir2 N10 O2 |
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Calculated formula | C58 H46 F8 Ir2 N10 O2 |
SMILES | O1C(c2ccc(cc2)C(C)(C)C)=[N]2[N]([Ir]341([n]1n(c5c3cc(F)cc5F)ccc1)[n]1n(c3c4cc(F)cc3F)ccc1)=C(O[Ir]132([n]2n(c4c1cc(F)cc4F)ccc2)[n]1n(c2c3cc(F)cc2F)ccc1)c1ccc(cc1)C(C)(C)C |
Title of publication | Synthesis, Diastereomer Separation, and Optoelectronic and Structural Properties of Dinuclear Cyclometalated Iridium(III) Complexes with Bridging Diarylhydrazide Ligands |
Authors of publication | Congrave, Daniel G.; Hsu, Yu-ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R. |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 5 |
Pages of publication | 981 |
a | 9.6743 ± 0.0006 Å |
b | 11.979 ± 0.0008 Å |
c | 12.1095 ± 0.0008 Å |
α | 89.1907 ± 0.0018° |
β | 79.7249 ± 0.0018° |
γ | 72.8004 ± 0.0018° |
Cell volume | 1317.98 ± 0.15 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0574 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1415 |
Weighted residual factors for all reflections included in the refinement | 0.1447 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4089192.html
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Users of the data should acknowledge the original authors of the
structural data.