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Information card for entry 4334597
Preview
Coordinates | 4334597.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H32 F12 Ir N3 O2 P2 S0 |
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Calculated formula | C50 H32 F12 Ir N3 O2 P2 |
SMILES | c1(ccccc1)P1(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=[O][Ir]23(c4c(c5cccc[n]35)c(cc(C(F)(F)F)c4)C(F)(F)F)(c3c(c4cccc[n]24)c(cc(c3)C(F)(F)F)C(F)(F)F)O1 |
Title of publication | Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand |
Authors of publication | Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 4916 - 4925 |
a | 10.9585 ± 0.0005 Å |
b | 17.7561 ± 0.0009 Å |
c | 24.2144 ± 0.0012 Å |
α | 90° |
β | 93.633 ± 0.001° |
γ | 90° |
Cell volume | 4702.2 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0508 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1413 |
Weighted residual factors for all reflections included in the refinement | 0.1458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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