Crystallography Open Database

Information card for entry 7120496

7120495 << 7120496 >> 7120497

Preview

Coordinates	7120496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 Cl2 N2 Pt S2
Calculated formula	C29 H20 Cl2 N2 Pt S2
SMILES	[Pt]12(Sc3c(S1)cc1c4c5ccccc5ccc4ccc1c3)[n]1ccccc1c1[n]2cccc1.ClCCl
Title of publication	Triplet state CPL active helicene-dithiolene platinum bipyridine complexes
Authors of publication	Biet, Thomas; Cauchy, Thomas; Sun, Qinchao; Ding, Jie; Hauser, Andreas; Oulevey, Patric; Bürgi, Thomas; Jacquemin, Denis; Vanthuyne, Nicolas; Crassous, Jeanne; Avarvari, Narcis
Journal of publication	Chem. Commun.
Year of publication	2017
a	20.358 ± 0.0007 Å
b	7.9519 ± 0.0014 Å
c	33.16 ± 0.003 Å
α	90°
β	107.08 ± 0.007°
γ	90°
Cell volume	5131.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
199352 (current)	2017-07-27	cif/ Adding structures of 7120496, 7120497, 7120498 via cif-deposit CGI script.	7120496.cif