Crystallography Open Database

Information card for entry 7237864

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Coordinates	7237864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H29 Cl6 Ir N2 O10 S4
Calculated formula	C41 H29 Cl6 Ir N2 O10 S4
Title of publication	Towards high performance solution-processed orange organic light-emitting devices: precisely-adjusting properties of Ir(iii) complexes by reasonably engineering the asymmetric configuration with second functionalized cyclometalating ligands
Authors of publication	Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Wong, Wai-Yeung
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	29
Pages of publication	8836
a	14.218 ± 0.005 Å
b	21.349 ± 0.007 Å
c	15.308 ± 0.005 Å
α	90°
β	96.21 ± 0.007°
γ	90°
Cell volume	4619 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.269
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
238675 (current)	2019-11-24	cif/ Adding structures of 7237864 via cif-deposit CGI script.	7237864.cif