Crystallography Open Database

Information card for entry 7134324

Preview

Coordinates	7134324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 F12 Si2
Calculated formula	C42 H30 F12 Si2
Title of publication	1,5-Disila-<i>s</i>-indacene-based emitters: a molecular design towards efficient blue OLEDs.
Authors of publication	Feng, Jianbin; Samedov, Kerim; Lu, Yanfei; Chen, Dongcheng; Cai, Yuanjing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	29
Pages of publication	5491 - 5494
a	6.2534 ± 0.0004 Å
b	11.9611 ± 0.0006 Å
c	12.8145 ± 0.0007 Å
α	94.062 ± 0.004°
β	91.359 ± 0.005°
γ	103.177 ± 0.005°
Cell volume	930.13 ± 0.09 Å³
Cell temperature	113.95 ± 0.1 K
Ambient diffraction temperature	113.95 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
298743 (current)	2025-04-05	cif/ Updating files of 7134323, 7134324 Original log message: Adding full bibliography for 7134323--7134324.cif.	7134324.cif
298378	2025-03-12	cif/ Adding structures of 7134323, 7134324 via cif-deposit CGI script.	7134324.cif