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Information card for entry 4084426
Preview
Coordinates | 4084426.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H68 I2 O4 P4 Rh2 |
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Calculated formula | C40 H68 I2 O4 P4 Rh2 |
SMILES | I[Rh]123[P](Oc4c5[CH]6[Rh](I)([P](Oc7c([CH]3=[CH2]2)c(O[P]1(C(C)C)C(C)C)ccc7)(C(C)C)C(C)C)([P](Oc5ccc4)(C(C)C)C(C)C)[CH2]=6)(C(C)C)C(C)C |
Title of publication | Potential Carbon‒Fluorine Reductive Elimination from Pincer-Supported Rh(III) and Dominating Side Reactions: Theoretical and Experimental Examination |
Authors of publication | Timpa, Samuel D.; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 21 |
Pages of publication | 6210 |
a | 27.3015 ± 0.0011 Å |
b | 10.5384 ± 0.0005 Å |
c | 16.267 ± 0.0007 Å |
α | 90° |
β | 96.011 ± 0.002° |
γ | 90° |
Cell volume | 4654.5 ± 0.4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.033 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4084426.html
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