Crystallography Open Database

Information card for entry 1546257

Preview

Coordinates	1546257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H31 Cl F2 N P Pt
Calculated formula	C38 H31 Cl F2 N P Pt
SMILES	[Pt]1(c2cc(F)ccc2c2[n]1c(ccc2)c1ccc(F)cc1)(Cl)[P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
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	8.51403 ± 0.00011 Å
b	10.31938 ± 0.00018 Å
c	18.7511 ± 0.0003 Å
α	83.1662 ± 0.0013°
β	79.6553 ± 0.0012°
γ	76.3618 ± 0.0013°
Cell volume	1569.92 ± 0.04 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	0.025
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1546257.cif