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Information card for entry 1514378
Preview
Coordinates | 1514378.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H42 B F22 N P2 Pt |
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Calculated formula | C55 H42 B F22 N P2 Pt |
SMILES | [B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c12c(cc(cc1)F)[P](C(C)C)(C(C)C)[Pt]1([NH]2c2ccc(cc2[P]1(C(C)C)C(C)C)F)c1ccc(cc1)C |
Title of publication | Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species |
Authors of publication | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. |
Journal of publication | Chemical Science |
Year of publication | 2013 |
Journal volume | 4 |
Journal issue | 2 |
Pages of publication | 642 |
a | 15.6555 ± 0.0015 Å |
b | 18.868 ± 0.0018 Å |
c | 18.2423 ± 0.0018 Å |
α | 90° |
β | 98.761 ± 0.001° |
γ | 90° |
Cell volume | 5325.7 ± 0.9 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0854 |
Residual factor for significantly intense reflections | 0.0758 |
Weighted residual factors for significantly intense reflections | 0.1697 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/1514378.html
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Users of the data should acknowledge the original authors of the
structural data.