Crystallography Open Database

Information card for entry 7131831

Preview

Coordinates	7131831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Br2 N4 S2
Calculated formula	C14 H10 Br2 N4 S2
Title of publication	New charge transfer-based organic room temperature phosphorescent trace doping systems.
Authors of publication	Zhao, Yu-Qiang; Zhu, Liping; Lu, Jian-Mei; Yu, Le; Zhang, Lanyun; Zhou, Ying
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	54
Pages of publication	8396 - 8399
a	17.2218 ± 0.0007 Å
b	4.0384 ± 0.0002 Å
c	22.4366 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1560.43 ± 0.12 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1608
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7131831.html