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Information card for entry 4082312
Preview
Coordinates | 4082312.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H40 Cl2 Ir2 N2 O |
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Calculated formula | C32 H40 Cl2 Ir2 N2 O |
SMILES | c12[n](cccc2)[Ir]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)(Cl)C2=C1[Ir]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)([n]1c2cccc1)Cl.O |
Title of publication | Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation |
Authors of publication | Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 2 |
Pages of publication | 587 |
a | 21.325 ± 0.004 Å |
b | 9.702 ± 0.002 Å |
c | 15.081 ± 0.003 Å |
α | 90° |
β | 97.507 ± 0.003° |
γ | 90° |
Cell volume | 3093.4 ± 1.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0494 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.289 |
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/4082312.html
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Users of the data should acknowledge the original authors of the
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