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Information card for entry 1514397
Preview
Coordinates | 1514397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102.5 H113 Cl N2 Pt |
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Calculated formula | C78 H85 Cl N2 Pt |
SMILES | [Pt]1([N](=C2C(=[N]1c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)c1ccccc1 |
Title of publication | Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways |
Authors of publication | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood |
Journal of publication | Chemical Science |
Year of publication | 2013 |
Journal volume | 4 |
Journal issue | 2 |
Pages of publication | 770 |
a | 12.0941 ± 0.0003 Å |
b | 15.39 ± 0.0004 Å |
c | 25.2421 ± 0.0005 Å |
α | 101.259 ± 0.0009° |
β | 98.6734 ± 0.001° |
γ | 111.101 ± 0.0007° |
Cell volume | 4171.5 ± 0.18 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/1514397.html
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