Crystallography Open Database

Information card for entry 7117135

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Coordinates	7117135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Cl2 F2 N P Pt
Calculated formula	C29 H36 Cl2 F2 N P Pt
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	14.9738 ± 0.0003 Å
b	15.8809 ± 0.0004 Å
c	24.6498 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5861.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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