Crystallography Open Database

Information card for entry 1546252

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Coordinates	1546252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 F2 N P Pt
Calculated formula	C38 H30 F2 N P Pt
SMILES	[Pt]12([P](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)[n]3c(c4c2cc(F)cc4)cccc3c2c1cc(F)cc2
Title of publication	Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre
Authors of publication	Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.
Journal of publication	Chem. Sci.
Year of publication	2017
a	12.1213 ± 0.0008 Å
b	12.1909 ± 0.0007 Å
c	12.2729 ± 0.0008 Å
α	68.816 ± 0.006°
β	69.917 ± 0.006°
γ	64.636 ± 0.006°
Cell volume	1489.24 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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