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Information card for entry 7032548
Preview
Coordinates | 7032548.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (i-PrPNP)Ir(biphenylene)(CO) |
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Formula | C33 H43 Ir O P2 |
Calculated formula | C33 H43 Ir O P2 |
SMILES | [Ir]123([P](Cc4c3c(ccc4)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(c1ccccc1c1ccccc21)C#[O] |
Title of publication | Addition of C-C and C-H bonds by pincer-iridium complexes: a combined experimental and computational study. |
Authors of publication | Laviska, David A.; Guan, Changjian; Emge, Thomas J.; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.; Krogh-Jespersen, Karsten; Goldman, Alan S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 43 |
Pages of publication | 16354 - 16365 |
a | 13.587 ± 0.008 Å |
b | 15.483 ± 0.009 Å |
c | 13.932 ± 0.008 Å |
α | 90° |
β | 96.765 ± 0.011° |
γ | 90° |
Cell volume | 2910 ± 3 Å3 |
Cell temperature | 100 ± 0.5 K |
Ambient diffraction temperature | 100 ± 0.5 K |
Number of distinct elements | 5 |
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 | 0.0322 |
Residual factor for significantly intense reflections | 0.0227 |
Weighted residual factors for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections included in the refinement | 0.0494 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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