Crystallography Open Database

Information card for entry 1575039

Preview

Coordinates	1575039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Br2 N P
Calculated formula	C22 H26 Br2 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	11.8011 ± 0.001 Å
b	13.8575 ± 0.001 Å
c	26.5401 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4340.2 ± 0.6 Å³
Cell temperature	149.98 ± 0.1 K
Ambient diffraction temperature	149.98 ± 0.1 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	0.0841
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1575039.cif