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Information card for entry 7031509
Preview
Coordinates | 7031509.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (tBuP(O)C)PtMe(CNtBu) |
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Chemical name | (tBuP(O)C)PtMe(CNtBu) |
Formula | C19 H33 N2 O P Pt |
Calculated formula | C19 H33 N2 O P Pt |
SMILES | [Pt]1([P](Oc2ncccc12)(C(C)(C)C)C(C)(C)C)(C#[N]C(C)(C)C)C |
Title of publication | Hemilability of P(X)N-type ligands (X = O, N-H): rollover cyclometalation and benzene C-H activation from (P(X)N)PtMe2 complexes. |
Authors of publication | Scheuermann, Margaret L.; Grice, Kyle A.; Ruppel, Matthew J.; Roselló-Merino, Marta; Kaminsky, Werner; Goldberg, Karen I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 31 |
Pages of publication | 12018 - 12025 |
a | 8.6571 ± 0.0012 Å |
b | 13.566 ± 0.002 Å |
c | 18.381 ± 0.003 Å |
α | 90° |
β | 98.684 ± 0.008° |
γ | 90° |
Cell volume | 2134 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0553 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0869 |
Weighted residual factors for all reflections included in the refinement | 0.0957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/7031509.html
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