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Information card for entry 4064196
Preview
Coordinates | 4064196.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H61 Cl Ir P |
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Calculated formula | C41 H61 Cl Ir P |
SMILES | [Ir]123([P](c4ccccc4c4c(cc(cc4C(C)C)C(C)C)C(C)C)(C4CCCCC4)C4CCCCC4)([CH]4=[CH]1CC[CH]3=[CH]2CC4)Cl |
Title of publication | Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines |
Authors of publication | Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 6 |
Pages of publication | 1668 |
a | 18.787 ± 0.002 Å |
b | 9.3296 ± 0.0011 Å |
c | 22.156 ± 0.003 Å |
α | 90° |
β | 108.885 ± 0.004° |
γ | 90° |
Cell volume | 3674.4 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.087 |
Residual factor for significantly intense reflections | 0.0707 |
Weighted residual factors for significantly intense reflections | 0.1608 |
Weighted residual factors for all reflections included in the refinement | 0.1681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/4064196.html
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