Crystallography Open Database

Information card for entry 4003455

Preview

Coordinates	4003455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 N5 O Pt
Calculated formula	C25 H15 N5 O Pt
SMILES	[Pt]123[n]4c(N5c6c3c(Oc3cccc(n7[n]1ncc7)c23)ccc6c1c5cccc1)cccc4
Title of publication	Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs
Authors of publication	Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin
Journal of publication	Chemistry of Materials
Year of publication	2020
a	17.8692 ± 0.0008 Å
b	7.5528 ± 0.0004 Å
c	28.1923 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3804.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
246481 (current)	2020-01-04	cif/ Adding structures of 4003455 via cif-deposit CGI script.	4003455.cif