Crystallography Open Database

Information card for entry 1575044

Preview

Coordinates	1575044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Br4 Mn N P
Calculated formula	C22 H26 Br4 Mn N P
Title of publication	An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging
Authors of publication	Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	21
Pages of publication	9375 - 9384
a	8.5137 ± 0.0002 Å
b	12.2993 ± 0.0004 Å
c	12.7994 ± 0.0003 Å
α	105.646 ± 0.002°
β	95.716 ± 0.002°
γ	93.676 ± 0.002°
Cell volume	1278.38 ± 0.06 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
300335 (current)	2025-07-04	cif/ Adding structures of 1575039, 1575040, 1575041, 1575042, 1575043, 1575044, 1575045, 1575046 via cif-deposit CGI script.	1575044.cif