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Information card for entry 4078157
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Coordinates | 4078157.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MAACIrCODCl |
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Formula | C32 H42 Cl Ir N2 O |
Calculated formula | C32 H42 Cl Ir N2 O |
SMILES | [Ir]123(Cl)(=C4N(C(=O)C(CN4c4c(cc(cc4C)C)C)(C)C)c4c(cc(cc4C)C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4 |
Title of publication | Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups |
Authors of publication | Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3373 |
a | 11.756 ± 0.003 Å |
b | 9.387 ± 0.002 Å |
c | 26.214 ± 0.006 Å |
α | 90° |
β | 97.739 ± 0.005° |
γ | 90° |
Cell volume | 2866.5 ± 1.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0399 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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