Crystallography Open Database

Information card for entry 1572573

Preview

Coordinates	1572573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 Br4 Mn P2
Calculated formula	C42 H42 Br4 Mn 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	16.1667 ± 0.0007 Å
b	13.9159 ± 0.0005 Å
c	18.6147 ± 0.0008 Å
α	90°
β	106.908 ± 0.004°
γ	90°
Cell volume	4006.8 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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

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