Crystallography Open Database

Information card for entry 4131306

Preview

Coordinates	4131306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H26 Cl2 N2 Pt
Calculated formula	C43 H26 Cl2 N2 Pt
Title of publication	Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.
Authors of publication	Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	20
Pages of publication	6863 - 6866
a	9.4057 ± 0.0012 Å
b	11.9467 ± 0.0016 Å
c	15.1002 ± 0.0019 Å
α	81.006 ± 0.004°
β	88.203 ± 0.004°
γ	79.304 ± 0.004°
Cell volume	1646.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
241539 (current)	2019-11-25	cif/ Adding structures of 4131306 via cif-deposit CGI script.	4131306.cif