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Information card for entry 1553112
Preview
Coordinates | 1553112.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H46 Cl2 F9 N P3 Rh |
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Calculated formula | C59 H46 Cl2 F9 N P3 Rh |
SMILES | c12cccc3c1c1[n](cccc1cc3)[Rh]2([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)/C=C/c1ccc(C(F)(F)F)cc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes |
Authors of publication | Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 7 |
Pages of publication | 783 |
a | 13.6534 ± 0.0003 Å |
b | 25.7008 ± 0.0005 Å |
c | 15.5862 ± 0.0003 Å |
α | 90° |
β | 93.092 ± 0.001° |
γ | 90° |
Cell volume | 5461.29 ± 0.19 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0764 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1514 |
Weighted residual factors for all reflections included in the refinement | 0.1829 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1553112.html
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