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Information card for entry 4070296
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Coordinates | 4070296.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6b |
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Formula | C34 H33 Cl Ir N2 O4 |
Calculated formula | C31 H26 Cl Ir N2 O4 |
SMILES | [Ir](Cl)(=C1N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[O])C#[O] |
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 | 7.427 ± 0.0003 Å |
b | 11.512 ± 0.0005 Å |
c | 19.968 ± 0.001 Å |
α | 78.022 ± 0.002° |
β | 86.983 ± 0.002° |
γ | 75.369 ± 0.002° |
Cell volume | 1615.93 ± 0.13 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 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 | 0.0305 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0709 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4070296.html
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