Crystallography Open Database

Information card for entry 1546256

Preview

Coordinates	1546256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 Cl4 F2 N P Pt
Calculated formula	C39 H30 Cl4 F2 N P Pt
SMILES	c12[Pt]3(Cl)[P](Cc4c(c5c(c6[n]3c(c2ccc(c1)F)ccc6)ccc(F)c5)cccc4)(Cc1ccccc1)Cc1ccccc1.C(Cl)(Cl)Cl
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	10.06885 ± 0.00009 Å
b	10.97968 ± 0.00011 Å
c	17.46056 ± 0.00018 Å
α	107.638 ± 0.0009°
β	97.2289 ± 0.0009°
γ	105.26 ± 0.0008°
Cell volume	1729.77 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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

Version history

Revision	Date	Message	Files
197543 (current)	2017-06-06	cif/ Adding structures of 1546251, 1546252, 1546253, 1546254, 1546255, 1546256, 1546257 via cif-deposit CGI script.	1546256.cif