Crystallography Open Database

Information card for entry 7117134

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Coordinates	7117134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 F2 N P Pt
Calculated formula	C20 H18 F2 N P Pt
SMILES	[Pt]12(c3cc(F)ccc3c3[n]1c(ccc3)c1ccc(F)cc21)[P](C)(C)C
Title of publication	Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate
Authors of publication	Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	8365
a	23.9938 ± 0.0006 Å
b	12.5106 ± 0.0003 Å
c	12.1687 ± 0.0003 Å
α	90°
β	107.325 ± 0.003°
γ	90°
Cell volume	3487.04 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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