Crystallography Open Database

Information card for entry 1546251

Preview

Coordinates	1546251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H30 Cl6 F2 N P Pt
Calculated formula	C39 H30 Cl6 F2 N P Pt
SMILES	[Pt]12(Cl)([P](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3c3c(c4[n]1c(c1c2cc(F)cc1)ccc4)ccc(F)c3)(Cl)Cl.ClC(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	11.49295 ± 0.00019 Å
b	22.2749 ± 0.0004 Å
c	14.299 ± 0.0002 Å
α	90°
β	91.1028 ± 0.0014°
γ	90°
Cell volume	3659.93 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0352
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1546251.cif