Crystallography Open Database

Information card for entry 7125378

Preview

Coordinates	7125378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H36 F6 Ir N4 O2 P S2
Calculated formula	C50 H36 F6 Ir N4 O2 P S2
Title of publication	Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.
Authors of publication	Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2019
Journal volume	55
Journal issue	57
Pages of publication	8215 - 8218
a	9.0612 ± 0.0005 Å
b	10.7892 ± 0.0006 Å
c	25.3691 ± 0.0014 Å
α	90°
β	97.738 ± 0.001°
γ	90°
Cell volume	2457.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	0.9963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237837 (current)	2019-11-24	cif/ Adding structures of 7125375, 7125376, 7125377, 7125378 via cif-deposit CGI script.	7125378.cif