Crystallography Open Database

Information card for entry 4131308

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Coordinates	4131308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 Cl4 N Pt S
Calculated formula	C26 H23 Cl4 N Pt S
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	7.566 ± 0.002 Å
b	20.775 ± 0.003 Å
c	17.105 ± 0.002 Å
α	90°
β	92.01 ± 0.02°
γ	90°
Cell volume	2687 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.03
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0487
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241541 (current)	2019-11-25	cif/ Adding structures of 4131308 via cif-deposit CGI script.	4131308.cif