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Information card for entry 4070284
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Coordinates | 4070284.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1a |
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Formula | C31 H32 Cl Fe2 Ir N2 |
Calculated formula | C31 H32 Cl Fe2 Ir N2 |
SMILES | [Ir]123(Cl)(=C4N(C=CN4[c]45[cH]6[Fe]789%10%11%124([cH]6[cH]7[cH]58)[cH]4[cH]%12[cH]%11[cH]%10[cH]94)[c]45[cH]6[Fe]789%10%11%124([cH]6[cH]7[cH]58)[cH]4[cH]%12[cH]%11[cH]%10[cH]94)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
Title of publication | Redox-Active N-Heterocyclic Carbenes: Design, Synthesis, and Evaluation of Their Electronic Properties |
Authors of publication | Rosen, Evelyn L.; Varnado, C. Daniel; Tennyson, Andrew G.; Khramov, Dimitri M.; Kamplain, Justin W.; Sung, Daphne H.; Cresswell, Philip T.; Lynch, Vincent M.; Bielawski, Christopher W. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 23 |
Pages of publication | 6695 |
a | 7.569 ± 0.0003 Å |
b | 18.8851 ± 0.0009 Å |
c | 18.0949 ± 0.0012 Å |
α | 90° |
β | 96.052 ± 0.002° |
γ | 90° |
Cell volume | 2572.1 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0904 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.7107 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/4070284.html
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