Crystallography Open Database

Information card for entry 1572574

Preview

Coordinates	1572574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H50 Br4 Mn O P2
Calculated formula	C45 H50 Br4 Mn O P2
Title of publication	Bisphosphonium Cation Based Metal Halide Glass Scintillators with Tunable Melting Points
Authors of publication	Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin
Journal of publication	Chemical Science
Year of publication	2024
a	11.7943 ± 0.0003 Å
b	19.8244 ± 0.0006 Å
c	19.3722 ± 0.0007 Å
α	90°
β	94.116 ± 0.001°
γ	90°
Cell volume	4517.8 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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/1572574.html