Crystallography Open Database

Information card for entry 1569103

Preview

Coordinates	1569103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H324 K9 Mo3 N18 O54 Sb24
Calculated formula	C162 H324 K9 Mo3 N18 O54 Sb24
Title of publication	A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes.
Authors of publication	Wang, Hui; Chen, Jia-Xiong; Zhou, Lu; Zhang, Xi; Yu, Jia; Wang, Kai; Zhang, Xiao-Hong
Journal of publication	Materials horizons
Year of publication	2023
Journal volume	10
Journal issue	8
Pages of publication	2997 - 3004
a	25.8992 ± 0.001 Å
b	25.3671 ± 0.001 Å
c	38.125 ± 0.002 Å
α	90°
β	92.409 ± 0.001°
γ	90°
Cell volume	25025.5 ± 1.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
285539 (current)	2023-08-05	cif/ Updating files of 1569103 Original log message: Adding full bibliography for 1569103.cif.	1569103.cif
283673	2023-05-11	cif/ Adding structures of 1569103 via cif-deposit CGI script.	1569103.cif