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Information card for entry 4069369
Preview
Coordinates | 4069369.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H46 Cl6 Ir2 N2 O2 |
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Calculated formula | C40 H46 Cl6 Ir2 N2 O2 |
SMILES | c12O[Ir]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(Cl)N(c2cc2c(c1)N(c1ccccc1)[Ir]1345(O2)([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Stepwise Formation of Half-Sandwich Iridium-Based Rectangles Containing 2,5-Diarylamino-1,4-benzoquinone Derivatives Linkers |
Authors of publication | Jia, Wei-Guo; Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Jin, Guo-Xin |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3459 |
a | 17.16 ± 0.08 Å |
b | 7.79 ± 0.04 Å |
c | 17.82 ± 0.08 Å |
α | 90° |
β | 107.79 ± 0.06° |
γ | 90° |
Cell volume | 2268 ± 19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0686 |
Weighted residual factors for all reflections included in the refinement | 0.0707 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
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/4069369.html
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Users of the data should acknowledge the original authors of the
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