Crystallography Open Database

Information card for entry 4519374

4519373 << 4519374 >> 4519375

Preview

Coordinates	4519374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Br2 Cu P
Calculated formula	C24 H20 Br2 Cu P
SMILES	Br[Cu][Br-].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.
Authors of publication	Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao
Journal of publication	ACS applied materials & interfaces
Year of publication	2022
Journal volume	14
Journal issue	12
Pages of publication	14157 - 14164
a	9.3658 ± 0.0009 Å
b	18.3538 ± 0.0014 Å
c	13.6212 ± 0.0012 Å
α	90°
β	102.217 ± 0.009°
γ	90°
Cell volume	2288.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0793
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
274230 (current)	2022-04-03	cif/ Adding structures of 4519374 via cif-deposit CGI script.	4519374.cif