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Information card for entry 1514380
Preview
Coordinates | 1514380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H35 B11 Cl12 F2 N P2 Pt |
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Calculated formula | C25 H35 B11 Cl12 F2 N P2 Pt |
SMILES | [Pt]12([P](c3c(ccc(c3)F)N2c2ccc(cc2[P]1(C(C)C)C(C)C)F)(C(C)C)C(C)C)Cl.[B]1234([B]567([B]89%10([B]%11%12%13([B]%141([B]1%15%12([B]%129%11([B]968([B]625([B]3%141([B]%15%1296Cl)Cl)Cl)Cl)Cl)Cl)([CH]47%10%13)Cl)Cl)Cl)Cl)Cl |
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 | 19.446 ± 0.02 Å |
b | 15.82 ± 0.016 Å |
c | 15.256 ± 0.015 Å |
α | 90° |
β | 107.781 ± 0.014° |
γ | 90° |
Cell volume | 4469 ± 8 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0941 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1198 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1514380.html
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